5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-1-isobutyl-3-methyl-6-(1-naphthylmethyl)thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-[3-(1,3-dioxo-2-isoindolyl)propylthio]-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(1-naphthylmethyl)-5-(3-phthalimidopropylthio)thieno[2,3-d]pyrimidine-2,4-quinone Formula: C33H31N3O4S2 MolecularWeight: 597.74694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SCCCN5C(=O)C6=CC=CC=C6C5=O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC4=CC=CC=C43)SCCCN5C(=O)C6=CC=CC=C6C5=O)C(=O)N(C1=O)C

InChI

InChI=1S/C33H31N3O4S2/c1-20(2)19-36-32-27(31(39)34(3)33(36)40)28(26(42-32)18-22-12-8-11-21-10-4-5-13-23(21)22)41-17-9-16-35-29(37)24-14-6-7-15-25(24)30(35)38/h4-8,10-15,20H,9,16-19H2,1-3H3