3-methyl-1-(2-methylpropyl)-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 3-methyl-1-(2-methylpropyl)-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1-isobutyl-3-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-3-methyl-1-(2-methylpropyl)-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-3-methyl-1-(2-methylpropyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-1-isobutyl-3-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O4/c1-5-9-16-19(29)27(13-15-10-7-6-8-11-15)22-24-18-17(28(22)20(16)30)21(31)25(4)23(32)26(18)12-14(2)3/h6-8,10-11,14,29H,5,9,12-13H2,1-4H3