[2-[(3-aminocarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [2-[(3-aminocarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-(3-carbamoylanilino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-(3-carbamoylanilino)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-(3-carbamoylanilino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(3-carbamoylanilino)-5-nitro-pyrimidin-4-yl] ester Formula: C12H8N6O3S MolecularWeight: 316.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C12H8N6O3S/c13-6-22-11-9(18(20)21)5-15-12(17-11)16-8-3-1-2-7(4-8)10(14)19/h1-5H,(H2,14,19)(H,15,16,17)