4-[2-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C18H29ClN6O2S MolecularWeight: 428.97986

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CC)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N[C@H](C)CC)Cl

InChI

InChI=1S/C18H29ClN6O2S/c1-4-6-20-18(27)25-9-7-24(8-10-25)15-11-14(19)22-17(23-15)28-12-16(26)21-13(3)5-2/h11,13H,4-10,12H2,1-3H3,(H,20,27)(H,21,26)/t13-/m1/s1