2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-benzyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H25N7O/c1-15(20(28)21-12-16-6-4-3-5-7-16)26-8-10-27(11-9-26)19-17-13-24-25(2)18(17)22-14-23-19/h3-7,13-15H,8-12H2,1-2H3,(H,21,28)