N2-(2-azanylethyl)-N4-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxy-quinazoline-2,4-diamine

Systemtic Name: N2-(2-azanylethyl)-N4-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxy-quinazoline-2,4-diamine Openeye Name: N2-(2-aminoethyl)-N4-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxy-quinazoline-2,4-diamine CAS Name: N2-(2-aminoethyl)-N4-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazoline-2,4-diamine IUPAC Name: 2-N-(2-aminoethyl)-4-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazoline-2,4-diamine Traditional Name: 2-aminoethyl-[6,7,8-trimethoxy-4-(piperonylamino)quinazolin-2-yl]amine Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC(=N2)NCCN)NCC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC(=N2)NCCN)NCC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C21H25N5O5/c1-27-16-9-13-17(19(29-3)18(16)28-2)25-21(23-7-6-22)26-20(13)24-10-12-4-5-14-15(8-12)31-11-30-14/h4-5,8-9H,6-7,10-11,22H2,1-3H3,(H2,23,24,25,26)