5-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(5-methyl-2-thiophenyl)-2-oxoethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(5-methyl-2-thienyl)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S/c1-11-6-7-16(28-11)15(24)9-21-10-19-17-12(18(21)25)8-20-22(17)13-4-2-3-5-14(13)23(26)27/h2-8,10H,9H2,1H3