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

Systemtic Name: 4-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)N

InChI

InChI=1S/C17H17N3O2S/c1-9-4-13-12(7-16(21)22-14(13)5-10(9)2)8-23-17-19-11(3)6-15(18)20-17/h4-7H,8H2,1-3H3,(H2,18,19,20)