4-[[(8-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-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-[[[3-keto-2-(2-pyrimidyl)-1H-1,2,4-triazol-5-yl]-(8-methoxy-4H-1,3-benzodioxin-6-yl)methyl]amino]benzamidine Formula: C23H22N8O4 MolecularWeight: 474.47198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C(C3=NC(=O)N(N3)C4=NC=CC=N4)NC5=CC=C(C=C5)C(=N)N)COCO2

Isomeric SMILES

COC1=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/C23H22N8O4/c1-33-17-10-14(9-15-11-34-12-35-19(15)17)18(28-16-5-3-13(4-6-16)20(24)25)21-29-23(32)31(30-21)22-26-7-2-8-27-22/h2-10,18,28H,11-12H2,1H3,(H3,24,25)(H,29,30,32)