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

Systemtic Name: N-(3-methoxypropyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-methoxypropyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: 3-methoxypropyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C15H18N4O3S/c1-11-4-6-12(7-5-11)23-15-13(19(20)21)14(17-10-18-15)16-8-3-9-22-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18)