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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(phenylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-phenylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-piperonyl-amine Formula: C18H16N4O2S MolecularWeight: 352.41024

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=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c19-16-17(20-9-12-6-7-14-15(8-12)24-11-23-14)21-10-22-18(16)25-13-4-2-1-3-5-13/h1-8,10H,9,11,19H2,(H,20,21,22)