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

Systemtic Name: 9-butyl-1,3-dimethyl-8-oxidanyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-butyl-8-hydroxy-1,3-dimethyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-butyl-8-hydroxy-1,3-dimethyl-7-phenylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-butyl-8-hydroxy-1,3-dimethyl-7-phenylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-butyl-8-hydroxy-1,3-dimethyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4)O

Isomeric SMILES

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4)O

InChI

InChI=1S/C20H21N5O4/c1-4-5-11-24-16(26)13(12-9-7-6-8-10-12)17(27)25-14-15(21-19(24)25)22(2)20(29)23(3)18(14)28/h6-10,26H,4-5,11H2,1-3H3