1-[(E)-[2-(5-azanyl-6-methoxy-pyrimidin-4-yl)sulfanyl-5-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2-(5-azanyl-6-methoxy-pyrimidin-4-yl)sulfanyl-5-nitro-phenyl]methylideneamino]thiourea Openeye Name: [(E)-[2-(5-amino-6-methoxy-pyrimidin-4-yl)sulfanyl-5-nitro-phenyl]methyleneamino]thiourea CAS Name: [(E)-[2-[(5-amino-6-methoxy-4-pyrimidinyl)thio]-5-nitrophenyl]methylideneamino]thiourea IUPAC Name: [(E)-[2-(5-amino-6-methoxypyrimidin-4-yl)sulfanyl-5-nitrophenyl]methylideneamino]thiourea Traditional Name: [(E)-[2-[(5-amino-6-methoxy-pyrimidin-4-yl)thio]-5-nitro-benzylidene]amino]thiourea Formula: C13H13N7O3S2 MolecularWeight: 379.41742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=S)N)N

Isomeric SMILES

COC1=C(C(=NC=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=S)N)N

InChI

InChI=1S/C13H13N7O3S2/c1-23-11-10(14)12(17-6-16-11)25-9-3-2-8(20(21)22)4-7(9)5-18-19-13(15)24/h2-6H,14H2,1H3,(H3,15,19,24)/b18-5+