7-bromanyl-2-[[5-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[[5-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[[5-(o-tolyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[[4-keto-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H15BrN6O2S MolecularWeight: 495.3518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C21H15BrN6O2S/c1-12-4-2-3-5-16(12)28-20(30)15-9-23-26-19(15)25-21(28)31-11-14-8-18(29)27-10-13(22)6-7-17(27)24-14/h2-10H,11H2,1H3,(H,23,26)