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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)CC(C)C)O

Isomeric SMILES

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)CC(C)C)O

InChI

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