3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(oxolan-2-ylmethylamino)-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(oxolan-2-ylmethylamino)-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(tetrahydrofuran-2-ylmethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-oxolanylmethylamino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(oxolan-2-ylmethylamino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-4-(tetrahydrofurfurylamino)-3-pyrroline-2,5-quinone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCC4CCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCC4CCCO4)C

InChI

InChI=1S/C23H26N4O3S/c1-15-13-16(2)26-23(25-15)31-20-19(24-14-18-9-6-12-30-18)21(28)27(22(20)29)11-10-17-7-4-3-5-8-17/h3-5,7-8,13,18,24H,6,9-12,14H2,1-2H3