1,3-dimethyl-7-(3-methylbutyl)-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-7-isopentyl-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-7-(3-methylbutyl)-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-(3-methylbutyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-7-isoamyl-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)CCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H27N5O3/c1-14(2)10-11-16-19(28)26(12-15-8-6-5-7-9-15)22-23-18-17(27(22)20(16)29)21(30)25(4)13-24(18)3/h5-9,14,28H,10-13H2,1-4H3