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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN6O2S/c1-3-5-7-20-16(26)13-28-17-22-14(19)12-15(23-17)24-8-10-25(11-9-24)18(27)21-6-4-2/h12H,3-11,13H2,1-2H3,(H,20,26)(H,21,27)