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

Systemtic Name: 4-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(sec-butylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Formula: C19H31ClN6O2S MolecularWeight: 443.00644

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)CC)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)CC)Cl

InChI

InChI=1S/C19H31ClN6O2S/c1-5-7-21-19(28)26-9-8-25(11-14(26)4)16-10-15(20)23-18(24-16)29-12-17(27)22-13(3)6-2/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,28)(H,22,27)