N4-(2-ethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(2-ethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(2-ethylphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(2-ethylphenyl)-6-(phenylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-phenylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

InChI

InChI=1S/C18H18N4S/c1-2-13-8-6-7-11-15(13)22-17-16(19)18(21-12-20-17)23-14-9-4-3-5-10-14/h3-12H,2,19H2,1H3,(H,20,21,22)