N4-(1,3-benzodioxol-5-yl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-quinolin-8-ylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-(8-quinolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-(8-quinolinylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(8-quinolylthio)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)N

InChI

InChI=1S/C20H15N5O2S/c21-17-19(25-13-6-7-14-15(9-13)27-11-26-14)23-10-24-20(17)28-16-5-1-3-12-4-2-8-22-18(12)16/h1-10H,11,21H2,(H,23,24,25)