1-[6-azanyl-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[6-azanyl-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[6-amino-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[6-amino-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone IUPAC Name: 1-[6-amino-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone Traditional Name: 1-[6-amino-3-methyl-4-(4-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-12-17-18(14-7-9-15(10-8-14)25(27)28)29-20(21)22-19(17)24(23-12)16(26)11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H2,21,22)