4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)CN4C=NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)CN4C=NC=N4

InChI

InChI=1S/C14H11N5O2/c1-2-12-13(21-9-20-12)5-10(1)11-3-4-16-14(18-11)6-19-8-15-7-17-19/h1-5,7-8H,6,9H2