8-azanyl-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidene-pyrimido[1,6-b][1,2,4]triazin-2-one

Systemtic Name: 8-azanyl-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidene-pyrimido[1,6-b][1,2,4]triazin-2-one Openeye Name: 8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-thioxo-pyrimido[1,6-b][1,2,4]triazin-2-one CAS Name: 8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidene-2-pyrimido[1,6-b][1,2,4]triazinone IUPAC Name: 8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one Traditional Name: 8-amino-3-methyl-1-(4-nitrobenzyl)-6-thioxo-pyrimido[1,6-b][1,2,4]triazin-2-one Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=S)N)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN2C(=CC(=NC2=S)N)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O3S/c1-8-13(21)18(7-9-2-4-10(5-3-9)20(22)23)12-6-11(15)16-14(24)19(12)17-8/h2-6H,7H2,1H3,(H2,15,16,24)