4-chloranyl-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine

Systemtic Name: 4-chloranyl-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine Openeye Name: 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine CAS Name: 4-chloro-N-(4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine IUPAC Name: 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine Traditional Name: [4-chloro-6-(4-methylpiperazino)-5-(methylthio)pyrimidin-2-yl]-(4-methoxyphenyl)amine Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)Cl)SC

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OC)Cl)SC

InChI

InChI=1S/C17H22ClN5OS/c1-22-8-10-23(11-9-22)16-14(25-3)15(18)20-17(21-16)19-12-4-6-13(24-2)7-5-12/h4-7H,8-11H2,1-3H3,(H,19,20,21)