1-[(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-3-phenyl-thiourea

Systemtic Name: 1-[(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-3-phenyl-thiourea Openeye Name: 1-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]-3-phenyl-thiourea CAS Name: 1-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]-3-phenylthiourea IUPAC Name: 1-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]-3-phenylthiourea Traditional Name: 1-[(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)amino]-3-phenyl-thiourea Formula: C11H10N6O4S MolecularWeight: 322.2999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C11H10N6O4S/c18-8-7(17(20)21)9(19)14-10(13-8)15-16-11(22)12-6-4-2-1-3-5-6/h1-5H,(H2,12,16,22)(H3,13,14,15,18,19)