N-cyclopropyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]amine Formula: C17H17N7O2S2 MolecularWeight: 415.49258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C17H17N7O2S2/c25-24(26)13-9-18-16(20-15(13)19-10-3-4-10)28-17-22-21-14(23(17)11-5-6-11)8-12-2-1-7-27-12/h1-2,7,9-11H,3-6,8H2,(H,18,19,20)