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

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

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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)C)O

Isomeric SMILES

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

InChI

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