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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-tert-butylphenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H38N4O3 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CN3CCCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CN3CCCNCC3

InChI

InChI=1S/C25H38N4O3/c1-6-29-20(17-28-15-8-13-26-14-16-28)21(23(30)32-7-2)22(27-24(29)31)18-9-11-19(12-10-18)25(3,4)5/h9-12,22,26H,6-8,13-17H2,1-5H3,(H,27,31)