2-methyl-N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-methyl-N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-methyl-N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 2-methyl-N-[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 2-methyl-N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propyl]-2-methyl-benzamide Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H25N7O2/c1-15-5-3-4-6-16(15)21(30)22-8-7-18(29)27-9-11-28(12-10-27)20-17-13-25-26(2)19(17)23-14-24-20/h3-6,13-14H,7-12H2,1-2H3,(H,22,30)