2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-methyl-amino]-N-(2-furfuryl)benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H20N6O3S/c1-25(17(26)11-29-19-23-15(20)9-16(21)24-19)14-7-3-2-6-13(14)18(27)22-10-12-5-4-8-28-12/h2-9H,10-11H2,1H3,(H,22,27)(H4,20,21,23,24)