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

Systemtic Name: ethyl 4-[4-[(3-methoxyphenyl)amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methoxyanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3-methoxyanilino)-1-methyl-6-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(m-anisidino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N7O3 MolecularWeight: 411.4576

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O3/c1-4-30-20(28)27-10-8-26(9-11-27)19-23-17(16-13-21-25(2)18(16)24-19)22-14-6-5-7-15(12-14)29-3/h5-7,12-13H,4,8-11H2,1-3H3,(H,22,23,24)