9-methyl-2-(3-methylbutylsulfanyl)-7-(phenylmethyl)-3H-purine-6,8-dione

Systemtic Name: 9-methyl-2-(3-methylbutylsulfanyl)-7-(phenylmethyl)-3H-purine-6,8-dione Openeye Name: 7-benzyl-2-isopentylsulfanyl-9-methyl-3H-purine-6,8-dione CAS Name: 9-methyl-2-(3-methylbutylthio)-7-(phenylmethyl)-3H-purine-6,8-dione IUPAC Name: 7-benzyl-9-methyl-2-(3-methylbutylsulfanyl)-3H-purine-6,8-dione Traditional Name: 7-benzyl-2-(isoamylthio)-9-methyl-3H-purine-6,8-quinone Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CCSC1=NC(=O)C2=C(N1)N(C(=O)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C18H22N4O2S/c1-12(2)9-10-25-17-19-15-14(16(23)20-17)22(18(24)21(15)3)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,20,23)