N-[2-[(6-chloranylquinolin-4-yl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-5-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-6-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[(6-chloranylquinolin-4-yl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-5-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-6-yl]-3-methyl-butanamide Openeye Name: N-[2-[(6-chloro-4-quinolyl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-5-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-6-yl]-3-methyl-butanamide CAS Name: N-[2-[(6-chloro-4-quinolinyl)methyl]-3-(4-cyano-1-methyl-2-pyrrolyl)-5-methyl-4-oxo-6-pyrazolo[3,4-d]pyrimidinyl]-3-methylbutanamide IUPAC Name: N-[2-[(6-chloroquinolin-4-yl)methyl]-3-(4-cyano-1-methylpyrrol-2-yl)-5-methyl-4-oxopyrazolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide Traditional Name: N-[2-[(6-chloro-4-quinolyl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-4-keto-5-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-3-methyl-butyramide Formula: C27H25ClN8O2 MolecularWeight: 528.9928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC2=NN(C(=C2C(=O)N1C)C3=CC(=CN3C)C#N)CC4=C5C=C(C=CC5=NC=C4)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=NC2=NN(C(=C2C(=O)N1C)C3=CC(=CN3C)C#N)CC4=C5C=C(C=CC5=NC=C4)Cl

InChI

InChI=1S/C27H25ClN8O2/c1-15(2)9-22(37)31-27-32-25-23(26(38)35(27)4)24(21-10-16(12-29)13-34(21)3)36(33-25)14-17-7-8-30-20-6-5-18(28)11-19(17)20/h5-8,10-11,13,15H,9,14H2,1-4H3,(H,31,32,33,37)