4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-(3-oxidanylidene-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide

Systemtic Name: 4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-(3-oxidanylidene-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide Openeye Name: 4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-(3-oxo-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzamidine CAS Name: 4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-[3-oxo-2-(2-pyrimidinyl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzenecarboximidamide IUPAC Name: 4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-(3-oxo-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide Traditional Name: 4-[[(8-ethyl-4H-1,3-benzodioxin-6-yl)-[3-keto-2-(2-pyrimidyl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzamidine Formula: C24H24N8O3 MolecularWeight: 472.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)C(C3=NC(=O)N(N3)C4=NC=CC=N4)NC5=CC=C(C=C5)C(=N)N)COCO2

Isomeric SMILES

CCC1=C2C(=CC(=C1)C(C3=NC(=O)N(N3)C4=NC=CC=N4)NC5=CC=C(C=C5)C(=N)N)COCO2

InChI

InChI=1S/C24H24N8O3/c1-2-14-10-16(11-17-12-34-13-35-20(14)17)19(29-18-6-4-15(5-7-18)21(25)26)22-30-24(33)32(31-22)23-27-8-3-9-28-23/h3-11,19,29H,2,12-13H2,1H3,(H3,25,26)(H,30,31,33)