2-[[4-azanyl-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-azanyl-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-amino-5-(4-chloro-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-amino-5-(4-chloro-3-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-amino-5-(4-chloro-3-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-amino-5-(4-chloro-3-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C23H20ClN7OS MolecularWeight: 477.9692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=NN=C(C4=C(N3C5=CC(=C(C=C5)Cl)C)N)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NC4=NN=C(C4=C(N3C5=CC(=C(C=C5)Cl)C)N)C

InChI

InChI=1S/C23H20ClN7OS/c1-12-9-16(7-8-17(12)24)31-21(25)20-14(3)28-29-22(20)27-23(31)33-11-15-10-19(32)30-13(2)5-4-6-18(30)26-15/h4-10H,11,25H2,1-3H3