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

Systemtic Name: 9-(3-chloranyl-4-methyl-phenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3-chloro-4-methyl-phenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chloro-4-methylphenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chloro-4-methylphenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-(3-chloro-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=C(C=C4)C)Cl)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=C(C=C4)C)Cl)N(C1=O)C

InChI

InChI=1S/C21H26ClN5O2/c1-4-5-6-10-27-19(28)17-18(24(3)21(27)29)23-20-25(11-7-12-26(17)20)15-9-8-14(2)16(22)13-15/h8-9,13H,4-7,10-12H2,1-3H3