ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3CCCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3CCCNCC3

InChI

InChI=1S/C20H28N4O3/c1-3-27-19(25)17-16(14-24-12-7-10-21-11-13-24)23(2)20(26)22-18(17)15-8-5-4-6-9-15/h4-6,8-9,18,21H,3,7,10-14H2,1-2H3,(H,22,26)