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

Systemtic Name: N4-(4-butylphenyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C23H23N5S/c1-2-3-6-16-10-12-18(13-11-16)28-22-20(24)23(27-15-26-22)29-19-9-4-7-17-8-5-14-25-21(17)19/h4-5,7-15H,2-3,6,24H2,1H3,(H,26,27,28)