5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]thio]-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: cyclopropyl-[5-nitro-2-[[5-(o-anisidino)-1,3,4-thiadiazol-2-yl]thio]pyrimidin-4-yl]amine Formula: C16H15N7O3S2 MolecularWeight: 417.4654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN=C(S2)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NN=C(S2)SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O3S2/c1-26-12-5-3-2-4-10(12)19-15-21-22-16(28-15)27-14-17-8-11(23(24)25)13(20-14)18-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,21)(H,17,18,20)