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

Systemtic Name: 3-butyl-9-(3-chloranyl-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-butyl-9-(3-chloro-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-butyl-9-(3-chloro-4-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-butyl-9-(3-chloro-4-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-butyl-9-(3-chloro-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=C(C=C4)C)Cl)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=C(C=C4)C)Cl)N(C1=O)C

InChI

InChI=1S/C20H24ClN5O2/c1-4-5-9-26-18(27)16-17(23(3)20(26)28)22-19-24(10-6-11-25(16)19)14-8-7-13(2)15(21)12-14/h7-8,12H,4-6,9-11H2,1-3H3