N4-(1,3-benzodioxol-5-yl)-6-phenoxy-pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-phenoxy-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-phenoxy-pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-phenoxypyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-phenoxypyrimidine-4,5-diamine Traditional Name: (5-amino-6-phenoxy-pyrimidin-4-yl)-(1,3-benzodioxol-5-yl)amine Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=CC=C4)N

InChI

InChI=1S/C17H14N4O3/c18-15-16(21-11-6-7-13-14(8-11)23-10-22-13)19-9-20-17(15)24-12-4-2-1-3-5-12/h1-9H,10,18H2,(H,19,20,21)