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

Systemtic Name: 9-(4-bromophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-allyl-9-(4-bromophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-bromophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-bromophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-allyl-9-(4-bromophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N3CCCN(C3=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H18BrN5O2/c1-3-9-24-16(25)14-15(21(2)18(24)26)20-17-22(10-4-11-23(14)17)13-7-5-12(19)6-8-13/h3,5-8H,1,4,9-11H2,2H3