ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-(1,4-diazepan-1-ylmethyl)-6-(2,4-dichlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H28Cl2N4O3 MolecularWeight: 467.38872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28Cl2N4O3/c1-3-10-28-18(14-27-11-5-8-25-9-12-27)19(21(29)31-4-2)20(26-22(28)30)16-7-6-15(23)13-17(16)24/h3,6-7,13,20,25H,1,4-5,8-12,14H2,2H3,(H,26,30)