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

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-7-methoxy-coumarin Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H14N4O3S/c1-21-9-2-3-10-8(4-14(20)22-11(10)5-9)7-23-15-18-12(16)6-13(17)19-15/h2-6H,7H2,1H3,(H4,16,17,18,19)