6-(4-chlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C18H13ClN4O4S MolecularWeight: 416.83822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O4S/c19-11-1-4-13(5-2-11)28-18-16(23(24)25)17(20-10-21-18)22-12-3-6-14-15(9-12)27-8-7-26-14/h1-6,9-10H,7-8H2,(H,20,21,22)