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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-6-(3-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-3-methyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-methyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-2-keto-3-methyl-6-(m-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-4-28-20(26)18-17(14-25-11-6-9-22-10-12-25)24(3)21(27)23-19(18)16-8-5-7-15(2)13-16/h5,7-8,13,19,22H,4,6,9-12,14H2,1-3H3,(H,23,27)