N-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[4-[[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[4-(4-methyl-1,4-diazepan-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide Formula: C23H28N8OS MolecularWeight: 464.58642

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)NC5=CC=NN5

InChI

InChI=1S/C23H28N8OS/c1-30-11-2-12-31(14-13-30)21-15-20(26-19-9-10-24-29-19)27-23(28-21)33-18-7-5-17(6-8-18)25-22(32)16-3-4-16/h5-10,15-16H,2-4,11-14H2,1H3,(H,25,32)(H2,24,26,27,28,29)