4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]-7-methoxy-coumarin Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S/c1-21-8-2-3-9-7(4-11(20)22-10(9)5-8)6-23-14-18-12(15)17-13(16)19-14/h2-5H,6H2,1H3,(H4,15,16,17,18,19)