ethyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate

Base Information

• Chemical Name: ethyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate
• CAS No.: 5862-89-5
• Molecular Formula: C18H19N5O5
• Molecular Weight: 385.374
• DSSTox Substance ID: DTXSID40360473
• Wikidata: Q82142235
• ChEMBL ID: CHEMBL1569406

Synonyms:5862-89-5;ethyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate;ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetamido]benzoate;SMR000104644;CBMicro_009909;Oprea1_177492;Oprea1_323317;MLS000108691;MLS002540137;CHEMBL1569406;SCHEMBL10114493;DTXSID40360473;HMS2161L17;HMS3307I06;CCG-3402;SMSF0008308;STK030509;AKOS000677520;CB12772;WAY-299750;BIM-0009781.P001;SR-01000453766;SR-01000453766-1;Ethyl 2-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamido)benzoate;Ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate

Chemical Property of ethyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate

Chemical Property:

• Density: 1.41g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 385.13861872
• Heavy Atom Count: 28
• Complexity: 656

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

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