1-(4-nitrophenyl)-3-(pyrimidin-2-ylcarbonylamino)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(pyrimidin-2-ylcarbonylamino)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(pyrimidine-2-carbonylamino)thiourea CAS Name: 1-(4-nitrophenyl)-3-[[oxo(2-pyrimidinyl)methyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(pyrimidine-2-carbonylamino)thiourea Traditional Name: 1-(4-nitrophenyl)-3-(pyrimidine-2-carbonylamino)thiourea Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3S/c19-11(10-13-6-1-7-14-10)16-17-12(22)15-8-2-4-9(5-3-8)18(20)21/h1-7H,(H,16,19)(H2,15,17,22)