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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(pentylamino)ethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(amylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C19H31ClN6O2S MolecularWeight: 443.00644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)NCCC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)NCCC

InChI

InChI=1S/C19H31ClN6O2S/c1-3-5-6-8-21-17(27)14-29-18-23-15(20)13-16(24-18)25-9-11-26(12-10-25)19(28)22-7-4-2/h13H,3-12,14H2,1-2H3,(H,21,27)(H,22,28)