6-[5-[5-(C-azanylcarbonimidoyl)pyridin-2-yl]-3,4-dideuterio-furan-2-yl]pyridine-3-carboximidamide; ethanoic acid

Systemtic Name: 6-[5-[5-(C-azanylcarbonimidoyl)pyridin-2-yl]-3,4-dideuterio-furan-2-yl]pyridine-3-carboximidamide; ethanoic acid Openeye Name: acetic acid; 6-[5-[5-(azanylcarbonimidoyl)-2-pyridyl]-3,4-dideuterio-2-furyl]pyridine-3-carboxamidine CAS Name: acetic acid; 6-[5-[5-[azanyl(imino)methyl]-2-pyridinyl]-3,4-dideuterio-2-furanyl]-3-pyridinecarboximidamide IUPAC Name: acetic acid; 6-[5-[5-(C-azanylcarbonimidoyl)pyridin-2-yl]-3,4-dideuteriofuran-2-yl]pyridine-3-carboximidamide Traditional Name: acetic acid; 6-[5-[5-(azanylcarbonimidoyl)-2-pyridyl]-3,4-dideuterio-2-furyl]nicotinamidine Formula: C18H18N6O3 MolecularWeight: 370.373061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

[2H]C1=C(OC(=C1[2H])C2=NC=C(C=C2)C(=N)[15NH2])C3=NC=C(C=C3)C(=N)[15NH2].CC(=O)O

InChI

InChI=1S/C16H14N6O.C2H4O2/c17-15(18)9-1-3-11(21-7-9)13-5-6-14(23-13)12-4-2-10(8-22-12)16(19)20;1-2(3)4/h1-8H,(H3,17,18)(H3,19,20);1H3,(H,3,4)/i5D,6D,17+1,19+1;