ethyl 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(cyanoamino)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)NC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC3=C(C=C2)OCO3)NC#N)C

InChI

InChI=1S/C16H16N4O4/c1-3-22-15(21)13-9(2)19-16(18-7-17)20-14(13)10-4-5-11-12(6-10)24-8-23-11/h4-6,14H,3,8H2,1-2H3,(H2,18,19,20)