N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)sulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)sulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)sulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-[(4-chlorophenyl)thio]pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(4-chlorophenyl)thio]pyrimidin-4-yl]-piperonyl-amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H15ClN4O2S/c19-12-2-4-13(5-3-12)26-18-16(20)17(22-9-23-18)21-8-11-1-6-14-15(7-11)25-10-24-14/h1-7,9H,8,10,20H2,(H,21,22,23)