N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C15H14N4O4S/c20-19(21)11-8-16-15(18-14(11)17-9-1-2-9)24-10-3-4-12-13(7-10)23-6-5-22-12/h3-4,7-9H,1-2,5-6H2,(H,16,17,18)