5-[6-azanyl-2-[(6-chloranylquinolin-4-yl)methyl]-5-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-pyrrole-3-carbonitrile

Systemtic Name: 5-[6-azanyl-2-[(6-chloranylquinolin-4-yl)methyl]-5-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-pyrrole-3-carbonitrile Openeye Name: 5-[6-amino-2-[(6-chloro-4-quinolyl)methyl]-5-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-pyrrole-3-carbonitrile CAS Name: 5-[6-amino-2-[(6-chloro-4-quinolinyl)methyl]-5-methyl-4-oxo-3-pyrazolo[3,4-d]pyrimidinyl]-1-methyl-3-pyrrolecarbonitrile IUPAC Name: 5-[6-amino-2-[(6-chloroquinolin-4-yl)methyl]-5-methyl-4-oxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carbonitrile Traditional Name: 5-[6-amino-2-[(6-chloro-4-quinolyl)methyl]-4-keto-5-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-pyrrole-3-carbonitrile Formula: C22H17ClN8O MolecularWeight: 444.87638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=C3C(=NN2CC4=C5C=C(C=CC5=NC=C4)Cl)N=C(N(C3=O)C)N)C#N

Isomeric SMILES

CN1C=C(C=C1C2=C3C(=NN2CC4=C5C=C(C=CC5=NC=C4)Cl)N=C(N(C3=O)C)N)C#N

InChI

InChI=1S/C22H17ClN8O/c1-29-10-12(9-24)7-17(29)19-18-20(27-22(25)30(2)21(18)32)28-31(19)11-13-5-6-26-16-4-3-14(23)8-15(13)16/h3-8,10H,11H2,1-2H3,(H2,25,27,28)