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

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,5-dimethylphenyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,5-dimethylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-6-(2,5-dimethylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,5-dimethylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-6-(2,5-dimethylphenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-5-29-21(27)19-18(14-26-11-6-9-23-10-12-26)25(4)22(28)24-20(19)17-13-15(2)7-8-16(17)3/h7-8,13,20,23H,5-6,9-12,14H2,1-4H3,(H,24,28)