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

Systemtic Name: 1-[(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]thiourea CAS Name: 1-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)amino]thiourea Formula: C8H10N6O4S MolecularWeight: 286.2678

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

Isomeric SMILES

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

InChI

InChI=1S/C8H10N6O4S/c1-2-3-9-8(19)13-12-7-10-5(15)4(14(17)18)6(16)11-7/h2H,1,3H2,(H2,9,13,19)(H3,10,11,12,15,16)