5-butylsulfanyl-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-butylsulfanyl-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-1-isobutyl-3-methyl-6-(1-naphthylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-1-isobutyl-3-methyl-6-(1-naphthylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C2C(=CN1CC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)CC(C)C

Isomeric SMILES

CCCCSC1=C2C(=CN1CC3=CC=CC4=CC=CC=C43)N(C(=O)N(C2=O)C)CC(C)C

InChI

InChI=1S/C26H31N3O2S/c1-5-6-14-32-25-23-22(29(15-18(2)3)26(31)27(4)24(23)30)17-28(25)16-20-12-9-11-19-10-7-8-13-21(19)20/h7-13,17-18H,5-6,14-16H2,1-4H3