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

Systemtic Name: 4-[[(8-methoxy-3,4-dihydro-2H-chromen-6-yl)-(3-oxidanylidene-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzenecarboximidamide Openeye Name: 4-[[(8-methoxychroman-6-yl)-(3-oxo-2-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]amino]benzamidine CAS Name: 4-[[(8-methoxy-3,4-dihydro-2H-1-benzopyran-6-yl)-[3-oxo-2-(2-pyrimidinyl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzenecarboximidamide IUPAC Name: 4-[[(8-methoxy-3,4-dihydro-2H-chromen-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-methoxychroman-6-yl)methyl]amino]benzamidine Formula: C24H24N8O3 MolecularWeight: 472.49916

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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)CCCO2

Isomeric SMILES

COC1=C2C(=CC(=C1)C(C3=NC(=O)N(N3)C4=NC=CC=N4)NC5=CC=C(C=C5)C(=N)N)CCCO2

InChI

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