5-[(4-fluorophenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 5-[(4-fluorophenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 5-[(4-fluorophenyl)methyl]-2-[2-(1-piperazinyl)ethylthio]pyrimidine-4,6-diamine IUPAC Name: 5-[(4-fluorophenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-fluorobenzyl)-2-(2-piperazinoethylthio)pyrimidin-4-yl]amine Formula: C17H23FN6S MolecularWeight: 362.468123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCSC2=NC(=C(C(=N2)N)CC3=CC=C(C=C3)F)N

Isomeric SMILES

C1CN(CCN1)CCSC2=NC(=C(C(=N2)N)CC3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H23FN6S/c18-13-3-1-12(2-4-13)11-14-15(19)22-17(23-16(14)20)25-10-9-24-7-5-21-6-8-24/h1-4,21H,5-11H2,(H4,19,20,22,23)