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

Systemtic Name: 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]thio]-N-(2-furanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: cyclopropyl-[2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C14H13N7O3S2 MolecularWeight: 391.42812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C14H13N7O3S2/c22-21(23)10-7-16-12(18-11(10)17-8-3-4-8)25-14-20-19-13(26-14)15-6-9-2-1-5-24-9/h1-2,5,7-8H,3-4,6H2,(H,15,19)(H,16,17,18)