2-(3-phenylpropylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(3-phenylpropylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 2-(3-phenylpropylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-(3-phenylpropylthio)pyrimidine-4,6-diamine IUPAC Name: 2-(3-phenylpropylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(3-phenylpropylthio)pyrimidin-4-yl]amine Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H16N4S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H4,14,15,16,17)