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

Systemtic Name: 9-butyl-3-methyl-1-(2-methylpropyl)-8-oxidanyl-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-benzyl-9-butyl-8-hydroxy-1-isobutyl-3-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-butyl-8-hydroxy-3-methyl-1-(2-methylpropyl)-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-benzyl-9-butyl-8-hydroxy-3-methyl-1-(2-methylpropyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-benzyl-9-butyl-8-hydroxy-1-isobutyl-3-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H29N5O4/c1-5-6-12-27-20(30)17(13-16-10-8-7-9-11-16)21(31)29-18-19(25-23(27)29)28(14-15(2)3)24(33)26(4)22(18)32/h7-11,15,30H,5-6,12-14H2,1-4H3