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

Systemtic Name: 2-[[4-azanyl-5-(3-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[[4-amino-5-(3-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-amino-5-(3-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H18ClN7OS MolecularWeight: 463.94262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4)C)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4)C)N

InChI

InChI=1S/C22H18ClN7OS/c1-12-15(23)6-5-7-16(12)30-20(24)19-13(2)27-28-21(19)26-22(30)32-11-14-10-18(31)29-9-4-3-8-17(29)25-14/h3-10H,11,24H2,1-2H3