1,3-dimethyl-8-(3-methylbut-2-enylsulfanyl)-6-oxidanyl-9-(phenylmethyl)-2,8-dihydropurino[7,8-a]pyrimidin-4-one

Systemtic Name: 1,3-dimethyl-8-(3-methylbut-2-enylsulfanyl)-6-oxidanyl-9-(phenylmethyl)-2,8-dihydropurino[7,8-a]pyrimidin-4-one Openeye Name: 9-benzyl-6-hydroxy-1,3-dimethyl-8-(3-methylbut-2-enylsulfanyl)-2,8-dihydropurino[7,8-a]pyrimidin-4-one CAS Name: 6-hydroxy-1,3-dimethyl-8-(3-methylbut-2-enylthio)-9-(phenylmethyl)-2,8-dihydropurino[7,8-a]pyrimidin-4-one IUPAC Name: 9-benzyl-6-hydroxy-1,3-dimethyl-8-(3-methylbut-2-enylsulfanyl)-2,8-dihydropurino[7,8-a]pyrimidin-4-one Traditional Name: 9-benzyl-6-hydroxy-1,3-dimethyl-8-(3-methylbut-2-enylthio)-2,8-dihydropurino[7,8-a]pyrimidin-4-one Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1C=C(N2C3=C(N=C2N1CC4=CC=CC=C4)N(CN(C3=O)C)C)O)C

Isomeric SMILES

CC(=CCSC1C=C(N2C3=C(N=C2N1CC4=CC=CC=C4)N(CN(C3=O)C)C)O)C

InChI

InChI=1S/C22H27N5O2S/c1-15(2)10-11-30-18-12-17(28)27-19-20(24(3)14-25(4)21(19)29)23-22(27)26(18)13-16-8-6-5-7-9-16/h5-10,12,18,28H,11,13-14H2,1-4H3