[5-nitro-2-[[4-[(phenylmethyl)carbamoyl]phenyl]amino]pyrimidin-4-yl] thiocyanate

Systemtic Name: [5-nitro-2-[[4-[(phenylmethyl)carbamoyl]phenyl]amino]pyrimidin-4-yl] thiocyanate Openeye Name: [2-[4-(benzylcarbamoyl)anilino]-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [5-nitro-2-[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-4-pyrimidinyl] ester IUPAC Name: [2-[4-(benzylcarbamoyl)anilino]-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-[4-(benzylcarbamoyl)anilino]-5-nitro-pyrimidin-4-yl] ester Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O3S/c20-12-29-18-16(25(27)28)11-22-19(24-18)23-15-8-6-14(7-9-15)17(26)21-10-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,26)(H,22,23,24)