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

Systemtic Name: 9-(3-chlorophenyl)-3-heptyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3-chlorophenyl)-3-heptyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chlorophenyl)-3-heptyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chlorophenyl)-3-heptyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(3-chlorophenyl)-3-heptyl-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:

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)Cl)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)Cl)N(C1=O)C

InChI

InChI=1S/C22H28ClN5O2/c1-3-4-5-6-7-12-28-20(29)18-19(25(2)22(28)30)24-21-26(13-9-14-27(18)21)17-11-8-10-16(23)15-17/h8,10-11,15H,3-7,9,12-14H2,1-2H3