N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-6-methylsulfanyl-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-6-methylsulfanyl-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-6-methylsulfanyl-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-6-(methylthio)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-6-methylsulfanylquinazolin-4-amine Traditional Name: [7-methoxy-6-(methylthio)quinazolin-4-yl]-piperonyl-amine Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NCC3=CC4=C(C=C3)OCO4)SC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NCC3=CC4=C(C=C3)OCO4)SC

InChI

InChI=1S/C18H17N3O3S/c1-22-16-7-13-12(6-17(16)25-2)18(21-9-20-13)19-8-11-3-4-14-15(5-11)24-10-23-14/h3-7,9H,8,10H2,1-2H3,(H,19,20,21)