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

Systemtic Name: 9-(5-chloranyl-2-methyl-phenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(5-chloro-2-methyl-phenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(5-chloro-2-methyl-phenyl)-3-hexyl-1-methyl-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:

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=C(C=CC(=C4)Cl)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=C(C=CC(=C4)Cl)C)N(C1=O)C

InChI

InChI=1S/C22H28ClN5O2/c1-4-5-6-7-11-28-20(29)18-19(25(3)22(28)30)24-21-26(12-8-13-27(18)21)17-14-16(23)10-9-15(17)2/h9-10,14H,4-8,11-13H2,1-3H3