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

Systemtic Name: 2-methoxy-N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-methoxy-N-[1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-methoxy-N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C23H29N7O3S MolecularWeight: 483.58646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C(CCSC)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C(CCSC)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C23H29N7O3S/c1-28-20-17(14-26-28)21(25-15-24-20)29-9-11-30(12-10-29)23(32)18(8-13-34-3)27-22(31)16-6-4-5-7-19(16)33-2/h4-7,14-15,18H,8-13H2,1-3H3,(H,27,31)