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

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]-7-methyl-coumarin Formula: C14H12ClN5O2S MolecularWeight: 349.79538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC(=N3)N)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC(=N3)N)N)Cl

InChI

InChI=1S/C14H12ClN5O2S/c1-6-2-10-8(4-9(6)15)7(3-11(21)22-10)5-23-14-19-12(16)18-13(17)20-14/h2-4H,5H2,1H3,(H4,16,17,18,19,20)