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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-(1-benzotriazolyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(benzotriazol-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3N)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3N)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C17H13N7O2/c18-15-16(21-10-5-6-13-14(7-10)26-9-25-13)19-8-20-17(15)24-12-4-2-1-3-11(12)22-23-24/h1-8H,9,18H2,(H,19,20,21)