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

Systemtic Name: 9-(5-chloranyl-2-methyl-phenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-allyl-9-(5-chloro-2-methyl-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methylphenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methylphenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-allyl-9-(5-chloro-2-methyl-phenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H22ClN5O2 MolecularWeight: 399.87398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC=C)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C20H22ClN5O2/c1-5-8-24-18(27)16-17(23(4)20(24)28)22-19-25(10-12(2)11-26(16)19)15-9-14(21)7-6-13(15)3/h5-7,9,12H,1,8,10-11H2,2-4H3