N4-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(3-pyridylmethyl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(3-pyridinylmethyl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C19H16N6S MolecularWeight: 360.43554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3N)NCC4=CN=CC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3N)NCC4=CN=CC=C4)N=CC=C2

InChI

InChI=1S/C19H16N6S/c20-16-18(23-11-13-4-2-8-21-10-13)24-12-25-19(16)26-15-7-1-5-14-6-3-9-22-17(14)15/h1-10,12H,11,20H2,(H,23,24,25)