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

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

CC(C)CC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC(C)CC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C20H21N5O4/c1-11(2)10-13-16(26)24(12-8-6-5-7-9-12)19-21-15-14(25(19)17(13)27)18(28)23(4)20(29)22(15)3/h5-9,11,27H,10H2,1-4H3