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

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-methoxypropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 3-methoxypropyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-21-9-5-8-15-13-12(18(19)20)14(17-10-16-13)22-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)