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

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-7-methyl-coumarin Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H14N4O2S/c1-8-2-3-10-9(5-14(20)21-11(10)4-8)7-22-15-18-12(16)6-13(17)19-15/h2-6H,7H2,1H3,(H4,16,17,18,19)