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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(oxolan-2-ylmethylamino)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(tetrahydrofuran-2-ylmethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-oxolanylmethylamino)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(tetrahydrofurfurylamino)-3-pyrroline-2,5-quinone Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)NCC4CCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NCC4CCCO4)C

InChI

InChI=1S/C22H24N4O3S/c1-14-11-15(2)25-22(24-14)30-19-18(23-12-17-9-6-10-29-17)20(27)26(21(19)28)13-16-7-4-3-5-8-16/h3-5,7-8,11,17,23H,6,9-10,12-13H2,1-2H3