N-[2-[(6-chloranylquinolin-4-yl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-7-(2-methylpropyl)-6-oxidanylidene-pyrazolo[3,4-d]pyrimidin-4-yl]ethanamide

Systemtic Name: N-[2-[(6-chloranylquinolin-4-yl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-7-(2-methylpropyl)-6-oxidanylidene-pyrazolo[3,4-d]pyrimidin-4-yl]ethanamide Openeye Name: N-[2-[(6-chloro-4-quinolyl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-7-isobutyl-6-oxo-pyrazolo[3,4-d]pyrimidin-4-yl]acetamide CAS Name: N-[2-[(6-chloro-4-quinolinyl)methyl]-3-(4-cyano-1-methyl-2-pyrrolyl)-7-(2-methylpropyl)-6-oxo-4-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-[2-[(6-chloroquinolin-4-yl)methyl]-3-(4-cyano-1-methylpyrrol-2-yl)-7-(2-methylpropyl)-6-oxopyrazolo[3,4-d]pyrimidin-4-yl]acetamide Traditional Name: N-[2-[(6-chloro-4-quinolyl)methyl]-3-(4-cyano-1-methyl-pyrrol-2-yl)-7-isobutyl-6-keto-pyrazolo[3,4-d]pyrimidin-4-yl]acetamide Formula: C27H25ClN8O2 MolecularWeight: 528.9928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=NC1=O)NC(=O)C)C3=CC(=CN3C)C#N)CC4=C5C=C(C=CC5=NC=C4)Cl

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=NC1=O)NC(=O)C)C3=CC(=CN3C)C#N)CC4=C5C=C(C=CC5=NC=C4)Cl

InChI

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