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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethyl)-5-thiophen-2-ylsulfanyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3-methyl-6-(3-pyridylmethyl)-5-(2-thienylsulfanyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)-6-(3-pyridinylmethyl)-5-(thiophen-2-ylthio)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethyl)-5-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(3-pyridylmethyl)-5-(2-thienylthio)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CN=CC=C3)SC4=CC=CS4)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CN=CC=C3)SC4=CC=CS4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H21N3O2S3/c1-13(2)12-24-20-17(19(25)23(3)21(24)26)18(29-16-7-5-9-27-16)15(28-20)10-14-6-4-8-22-11-14/h4-9,11,13H,10,12H2,1-3H3