1-butyl-3-(3-cyanophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-cyanophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-cyanophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-cyanophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-cyanophenyl)-2,4-diketo-N-(4-mesylbenzyl)pyrimidine-5-carboxamide Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C#N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H24N4O5S/c1-3-4-12-27-16-21(22(29)26-15-17-8-10-20(11-9-17)34(2,32)33)23(30)28(24(27)31)19-7-5-6-18(13-19)14-25/h5-11,13,16H,3-4,12,15H2,1-2H3,(H,26,29)