6-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H15ClN4O3S MolecularWeight: 354.8119

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O3S/c1-22-8-2-7-16-13-12(19(20)21)14(18-9-17-13)23-11-5-3-10(15)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,16,17,18)