1,3-dimethyl-7-octyl-6-oxidanyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 1,3-dimethyl-7-octyl-6-oxidanyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-7-octyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-7-octyl-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-7-octyl-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-1,3-dimethyl-7-octyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C24H29N5O4/c1-4-5-6-7-8-12-15-17-20(30)28(16-13-10-9-11-14-16)23-25-19-18(29(23)21(17)31)22(32)27(3)24(33)26(19)2/h9-11,13-14,31H,4-8,12,15H2,1-3H3