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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-5-pyridin-2-ylsulfanyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3-methyl-6-(1-naphthylmethyl)-5-(2-pyridylsulfanyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-5-(2-pyridinylthio)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-5-pyridin-2-ylsulfanylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(1-naphthylmethyl)-5-(2-pyridylthio)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SC5=CC=CC=N5)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SC5=CC=CC=N5)C(=O)N(C1=O)C

InChI

InChI=1S/C27H25N3O2S2/c1-17(2)16-30-26-23(25(31)29(3)27(30)32)24(34-22-13-6-7-14-28-22)21(33-26)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17H,15-16H2,1-3H3