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

Systemtic Name: 9-(5-chloranyl-2-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(5-chloro-2-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(5-chloro-2-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H24ClN5O2 MolecularWeight: 449.93266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5

InChI

InChI=1S/C24H24ClN5O2/c1-16-9-10-18(25)15-19(16)28-12-6-13-29-20-21(26-23(28)29)27(2)24(32)30(22(20)31)14-11-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14H2,1-2H3