3-butyl-9-(5-chloranyl-2-methoxy-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-butyl-9-(5-chloranyl-2-methoxy-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-butyl-9-(5-chloro-2-methoxy-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-butyl-9-(5-chloro-2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-butyl-9-(5-chloro-2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-butyl-9-(5-chloro-2-methoxy-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H26ClN5O3 MolecularWeight: 431.91584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C=CC(=C4)Cl)OC)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=C(C=CC(=C4)Cl)OC)C)N(C1=O)C

InChI

InChI=1S/C21H26ClN5O3/c1-5-6-9-25-19(28)17-18(24(3)21(25)29)23-20-26(11-13(2)12-27(17)20)15-10-14(22)7-8-16(15)30-4/h7-8,10,13H,5-6,9,11-12H2,1-4H3