N-[4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-2-keto-chromen-7-yl]acetamide Formula: C16H15N5O3S MolecularWeight: 357.387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H15N5O3S/c1-8(22)19-10-2-3-11-9(4-15(23)24-12(11)5-10)7-25-16-20-13(17)6-14(18)21-16/h2-6H,7H2,1H3,(H,19,22)(H4,17,18,20,21)