4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-7-ethyl-coumarin Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H16N4O2S/c1-2-9-3-4-11-10(6-15(21)22-12(11)5-9)8-23-16-19-13(17)7-14(18)20-16/h3-7H,2,8H2,1H3,(H4,17,18,19,20)