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

Systemtic Name: 9-(3-chloranyl-2-methyl-phenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3-chloro-2-methyl-phenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chloro-2-methylphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chloro-2-methylphenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-(3-chloro-2-methyl-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5O2/c1-5-6-7-11-26-20(29)18-19(25(4)22(26)30)24-21-27(12-14(2)13-28(18)21)17-10-8-9-16(23)15(17)3/h8-10,14H,5-7,11-13H2,1-4H3