4-[6-chloranyl-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H29ClN6O3S MolecularWeight: 444.97926

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCOC)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCOC)Cl

InChI

InChI=1S/C18H29ClN6O3S/c1-4-20-18(27)25-8-7-24(11-13(25)2)15-10-14(19)22-17(23-15)29-12-16(26)21-6-5-9-28-3/h10,13H,4-9,11-12H2,1-3H3,(H,20,27)(H,21,26)