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

Systemtic Name: 9-(3-chloranyl-4-methoxy-phenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3-chloro-4-methoxy-phenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-(3-chloro-4-methoxy-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC(=C(C=C4)OC)Cl)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC(=C(C=C4)OC)Cl)C)N(C1=O)C

InChI

InChI=1S/C22H28ClN5O3/c1-5-6-7-10-26-20(29)18-19(25(3)22(26)30)24-21-27(12-14(2)13-28(18)21)15-8-9-17(31-4)16(23)11-15/h8-9,11,14H,5-7,10,12-13H2,1-4H3