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

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

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

Isomeric SMILES

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

InChI

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