N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]-2-(2-pyrimidin-2-ylsulfanylethanoylamino)butanediamide

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]-2-(2-pyrimidin-2-ylsulfanylethanoylamino)butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-N-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-(pyrazinoylamino)ethyl]-2-[[2-(2-pyrimidylthio)acetyl]amino]succinamide Formula: C27H37N11O4S MolecularWeight: 611.71898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C27H37N11O4S/c28-24(29)23(17-3-1-6-30-14-17)37-21(39)13-19(36-22(40)16-43-27-34-7-2-8-35-27)26(42)38(18-4-5-18)12-11-33-25(41)20-15-31-9-10-32-20/h2,7-10,15,17-19,23,30H,1,3-6,11-14,16H2,(H3,28,29)(H,33,41)(H,36,40)(H,37,39)