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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-5-pyridin-4-ylsulfanyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3-methyl-6-(1-naphthylmethyl)-5-(4-pyridylsulfanyl)pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-5-(pyridin-4-ylthio)pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-5-pyridin-4-ylsulfanylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3-methyl-6-(1-naphthylmethyl)-5-(4-pyridylthio)pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CN(C(=C2C(=O)N(C1=O)C)SC3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)CN1C2=CN(C(=C2C(=O)N(C1=O)C)SC3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O2S/c1-18(2)15-31-23-17-30(16-20-9-6-8-19-7-4-5-10-22(19)20)26(34-21-11-13-28-14-12-21)24(23)25(32)29(3)27(31)33/h4-14,17-18H,15-16H2,1-3H3