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

Systemtic Name: 3-[(4-butylphenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-butylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-butylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(4-butylanilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C27H28N4O2S/c1-4-5-9-20-12-14-22(15-13-20)30-23-24(34-27-28-18(2)16-19(3)29-27)26(33)31(25(23)32)17-21-10-7-6-8-11-21/h6-8,10-16,30H,4-5,9,17H2,1-3H3