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

Systemtic Name: 1,3-diethyl-7-(2-methylpropyl)-6-oxidanyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 1,3-diethyl-6-hydroxy-7-isobutyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 1,3-diethyl-6-hydroxy-7-(2-methylpropyl)-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 1,3-diethyl-6-hydroxy-7-(2-methylpropyl)-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 1,3-diethyl-6-hydroxy-7-isobutyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)CC(C)C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)CC(C)C)O

InChI

InChI=1S/C22H25N5O4/c1-5-24-17-16(20(30)25(6-2)22(24)31)27-19(29)15(12-13(3)4)18(28)26(21(27)23-17)14-10-8-7-9-11-14/h7-11,13,29H,5-6,12H2,1-4H3