5-chloranyl-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine Openeye Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)-2-pyridyl]methyl]pyrimidin-4-amine CAS Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[4-(1-piperazinyl)butylthio]-2-pyridinyl]methyl]-4-pyrimidinamine IUPAC Name: 5-chloro-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)pyridin-2-yl]methyl]pyrimidin-4-amine Traditional Name: (5-chloro-2,6-dimethyl-pyrimidin-4-yl)-[[3-methyl-4-(4-piperazinobutylthio)-2-pyridyl]methyl]amine Formula: C21H31ClN6S MolecularWeight: 435.02904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCCN3CCNCC3

Isomeric SMILES

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCCN3CCNCC3

InChI

InChI=1S/C21H31ClN6S/c1-15-18(14-25-21-20(22)16(2)26-17(3)27-21)24-7-6-19(15)29-13-5-4-10-28-11-8-23-9-12-28/h6-7,23H,4-5,8-14H2,1-3H3,(H,25,26,27)