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Basic Information
CAS No.: 71342-66-0
Name: 1-Ethyl-6-iminodihydropyrimidine-2,4,5(3H)-trione 5-(O-methyloxime)
Molecular Structure:
Molecular Structure of 71342-66-0 (1-Ethyl-6-iminodihydropyrimidine-2,4,5(3H)-trione 5-(O-methyloxime))
Formula: C7H10N4O3
Molecular Weight: 198.18
Synonyms: 1-ETHYL-6-IMINODIHYDROPYRIMIDINE-2,4,5(3H)-TRIONE 5-(O-METHYLOXIME);
Density: 1.48g/cm3
PSA: 94.85000
LogP: -0.09580
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Specification

The 1-Ethyl-6-iminodihydropyrimidine-2,4,5(3H)-trione 5-(O-methyloxime), with cas registry number of 71342-66-0, has the systematic name of (5E)-1-ethyl-6-imino-5-methoxyimino-hexahydropyrimidine-2,4-dione. It is also named 2,4,5(3H)-pyrimidinetrione, 1-ethyldihydro-6-imino-, 5-(O-methyloxime), (5E)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 94.85 Å2; (6)Index of Refraction: 1.623; (7)Molar Refractivity: 46.95 cm3; (8)Molar Volume: 133 cm3; (9)Polarizability: 18.61×10-24cm3; (10)Surface Tension: 57.2 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES:CCN1C(=N)C(=NOC)C(=O)NC1=O
(2)InChI:InChI=1/C7H10N4O3/c1-3-11-5(8)4(10-14-2)6(12)9-7(11)13/h8H,3H2,1-2H3,(H,9,12,13)/b8-5?,10-4+
(3)InChIKey:QHNYQVOBANAFAW-RCHRYLDCBB
(4)Std. InChI:InChI=1S/C7H10N4O3/c1-3-11-5(8)4(10-14-2)6(12)9-7(11)13/h8H,3H2,1-2H3,(H,9,12,13)/b8-5?,10-4+
(5)Std. InChIKey:QHNYQVOBANAFAW-RCHRYLDCSA-N