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

Systemtic Name: 3-butyl-9-(3-chloranyl-2-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-butyl-9-(3-chloro-2-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-butyl-9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-butyl-9-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-butyl-9-(3-chloro-2-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=C(C(=CC=C4)Cl)C)N(C1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O2/c1-4-5-10-26-18(27)16-17(23(3)20(26)28)22-19-24(11-7-12-25(16)19)15-9-6-8-14(21)13(15)2/h6,8-9H,4-5,7,10-12H2,1-3H3