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

Systemtic Name: N-[3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[2-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]propyl]benzamide CAS Name: N-[3-methyl-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: N-[3-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: N-[2-methyl-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7O2/c1-15(2)18(26-21(30)16-7-5-4-6-8-16)22(31)29-11-9-28(10-12-29)20-17-13-25-27(3)19(17)23-14-24-20/h4-8,13-15,18H,9-12H2,1-3H3,(H,26,30)