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

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

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

Isomeric SMILES

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

InChI

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