4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=CC(=N3)N)N)C

InChI

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