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

Systemtic Name: N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 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]benzamide Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O2/c1-25-18-16(13-24-25)19(23-14-22-18)27-11-9-26(10-12-27)17(28)7-8-21-20(29)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,21,29)