1,3-dimethyl-6-oxidanyl-7-propyl-9-quinolin-3-yl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 1,3-dimethyl-6-oxidanyl-7-propyl-9-quinolin-3-yl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-7-propyl-9-(3-quinolyl)purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-7-propyl-9-(3-quinolinyl)purino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-7-propyl-9-quinolin-3-ylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-1,3-dimethyl-7-propyl-9-(3-quinolyl)purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC5=CC=CC=C5N=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC5=CC=CC=C5N=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C22H20N6O4/c1-4-7-14-18(29)27(13-10-12-8-5-6-9-15(12)23-11-13)21-24-17-16(28(21)19(14)30)20(31)26(3)22(32)25(17)2/h5-6,8-11,30H,4,7H2,1-3H3