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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)CC(C)C)O

Isomeric SMILES

CCCC1=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/C22H25N5O4/c1-5-9-15-18(28)26(14-10-7-6-8-11-14)21-23-17-16(27(21)19(15)29)20(30)24(4)22(31)25(17)12-13(2)3/h6-8,10-11,13,29H,5,9,12H2,1-4H3