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

Systemtic Name: ethyl 4-(6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(6-methyl-1-phenethyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N6O2/c1-3-29-21(28)26-13-11-25(12-14-26)19-18-15-22-27(20(18)24-16(2)23-19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3