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

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-5-nitropyrimidin-4-amine Traditional Name: [2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyrimidin-4-yl]-cyclopropyl-amine Formula: C19H21N7O3S MolecularWeight: 427.48014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C5=CC=CO5

InChI

InChI=1S/C19H21N7O3S/c27-26(28)14-11-20-18(22-16(14)21-12-8-9-12)30-19-24-23-17(15-7-4-10-29-15)25(19)13-5-2-1-3-6-13/h4,7,10-13H,1-3,5-6,8-9H2,(H,20,21,22)