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

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

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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)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-5-6-12-26-19(29)16(15-10-8-7-9-11-15)20(30)28-17-18(24-22(26)28)27(13-14(2)3)23(32)25(4)21(17)31/h7-11,14,29H,5-6,12-13H2,1-4H3