4-[6-chloranyl-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(propylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(propylamino)ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C18H29ClN6O2S MolecularWeight: 428.97986

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)C

InChI

InChI=1S/C18H29ClN6O2S/c1-5-6-20-16(26)11-28-17-22-14(19)9-15(23-17)24-7-8-25(13(4)10-24)18(27)21-12(2)3/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,26)(H,21,27)