ethyl 4-[1-methyl-4-[(3-methylphenyl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-methyl-4-[(3-methylphenyl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-methyl-4-(3-methylanilino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[1-methyl-4-(3-methylanilino)-6-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-methyl-4-(3-methylanilino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[1-methyl-4-(m-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC=CC(=C4)C

InChI

InChI=1S/C20H25N7O2/c1-4-29-20(28)27-10-8-26(9-11-27)19-23-17(16-13-21-25(3)18(16)24-19)22-15-7-5-6-14(2)12-15/h5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,24)