N4-[2-(phenylmethylsulfanyl)ethyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[2-(phenylmethylsulfanyl)ethyl]pyrimidine-2,4-diamine Openeye Name: N4-(2-benzylsulfanylethyl)pyrimidine-2,4-diamine CAS Name: N4-[2-(phenylmethylthio)ethyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(2-benzylsulfanylethyl)pyrimidine-2,4-diamine Traditional Name: (2-aminopyrimidin-4-yl)-[2-(benzylthio)ethyl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC2=NC(=NC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC2=NC(=NC=C2)N

InChI

InChI=1S/C13H16N4S/c14-13-16-7-6-12(17-13)15-8-9-18-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H3,14,15,16,17)