3-methyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3-methyl-6-(3-pyridylmethyl)-5-pyrrolidin-1-ylsulfonyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)-6-(3-pyridinylmethyl)-5-(1-pyrrolidinylsulfonyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(3-pyridylmethyl)-5-pyrrolidinosulfonyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CN=CC=C3)S(=O)(=O)N4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CN=CC=C3)S(=O)(=O)N4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H26N4O4S2/c1-14(2)13-25-20-17(19(26)23(3)21(25)27)18(31(28,29)24-9-4-5-10-24)16(30-20)11-15-7-6-8-22-12-15/h6-8,12,14H,4-5,9-11,13H2,1-3H3