5-[(4-chlorophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 5-[(4-chlorophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine CAS Name: 5-[(4-chlorophenyl)methyl]-2-[3-(1-piperazinyl)propylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-(3-piperazin-1-ylpropylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-chlorobenzyl)-2-(3-piperazinopropylthio)pyrimidin-4-yl]amine Formula: C18H25ClN6S MolecularWeight: 392.9493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCSC2=NC(=C(C(=N2)N)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CN(CCN1)CCCSC2=NC(=C(C(=N2)N)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H25ClN6S/c19-14-4-2-13(3-5-14)12-15-16(20)23-18(24-17(15)21)26-11-1-8-25-9-6-22-7-10-25/h2-5,22H,1,6-12H2,(H4,20,21,23,24)