3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(cyclohexylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(cyclohexylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C23H26N4O2S MolecularWeight: 422.54314

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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)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4CCCCC4)C

InChI

InChI=1S/C23H26N4O2S/c1-15-13-16(2)25-23(24-15)30-20-19(26-18-11-7-4-8-12-18)21(28)27(22(20)29)14-17-9-5-3-6-10-17/h3,5-6,9-10,13,18,26H,4,7-8,11-12,14H2,1-2H3