3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(3-methoxyphenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(3-methoxyphenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(3-methoxyanilino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(3-methoxyanilino)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(3-methoxyanilino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(m-anisidino)-3-pyrroline-2,5-quinone Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C24H22N4O3S/c1-15-12-16(2)26-24(25-15)32-21-20(27-18-10-7-11-19(13-18)31-3)22(29)28(23(21)30)14-17-8-5-4-6-9-17/h4-13,27H,14H2,1-3H3