8-[(2-Aminoethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione

Base Information

• Chemical Name: 8-[(2-Aminoethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
• CAS No.: 604754-57-6
• Molecular Formula: C16H20N6O2
• DSSTox Substance ID: DTXSID101127345

Synonyms:DTXSID101127345;AKOS000747446;SR-01000328284;SR-01000328284-1;8-[(2-Aminoethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione;604754-57-6

Chemical Property of 8-[(2-Aminoethyl)amino]-3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 328.16477390
• Heavy Atom Count: 24
• Complexity: 481

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MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=CC=C3

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