N4-(4-ethylphenyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(4-ethylphenyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(4-ethylphenyl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(4-ethylphenyl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-ethylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C21H19N5S/c1-2-14-8-10-16(11-9-14)26-20-18(22)21(25-13-24-20)27-17-7-3-5-15-6-4-12-23-19(15)17/h3-13H,2,22H2,1H3,(H,24,25,26)