3-(4-ethylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H26N6O/c1-3-16-4-6-17(7-5-16)8-9-19(28)26-10-12-27(13-11-26)21-18-14-24-25(2)20(18)22-15-23-21/h4-7,14-15H,3,8-13H2,1-2H3