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

Systemtic Name: 3-[(4-butylphenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C28H30N4O2S/c1-4-5-9-22-12-14-23(15-13-22)31-24-25(35-28-29-19(2)18-20(3)30-28)27(34)32(26(24)33)17-16-21-10-7-6-8-11-21/h6-8,10-15,18,31H,4-5,9,16-17H2,1-3H3