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

Systemtic Name: 9-(3-chloranyl-4-methyl-phenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-allyl-9-(3-chloro-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chloro-4-methylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chloro-4-methylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-allyl-9-(3-chloro-4-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C)Cl

InChI

InChI=1S/C19H20ClN5O2/c1-4-8-25-17(26)15-16(22(3)19(25)27)21-18-23(9-5-10-24(15)18)13-7-6-12(2)14(20)11-13/h4,6-7,11H,1,5,8-10H2,2-3H3