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

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

CCCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C23H27N5O4/c1-4-5-6-7-11-14-16-19(29)27(15-12-9-8-10-13-15)22-24-18-17(28(22)20(16)30)21(31)26(3)23(32)25(18)2/h8-10,12-13,30H,4-7,11,14H2,1-3H3