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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(4-ethanoylphenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(4-acetylanilino)-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-acetylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(4-acetylanilino)-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-acetylanilino)-1-benzyl-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C25H22N4O3S MolecularWeight: 458.53218

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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=C(C=C4)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3S/c1-15-13-16(2)27-25(26-15)33-22-21(28-20-11-9-19(10-12-20)17(3)30)23(31)29(24(22)32)14-18-7-5-4-6-8-18/h4-13,28H,14H2,1-3H3