N-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]chromen-7-yl]acetamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H15N5O3S/c1-10(24)22-12-3-4-13-11(5-16(25)26-15(13)6-12)8-27-18-14-7-21-23(2)17(14)19-9-20-18/h3-7,9H,8H2,1-2H3,(H,22,24)