N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]-2-furamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C15H13N5O3S/c16-12-11(18-13(21)10-4-2-6-23-10)14(22)20-15(19-12)24-8-9-3-1-5-17-7-9/h1-7H,8H2,(H,18,21)(H3,16,19,20,22)