N-(1-adamantyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 1-adamantyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)SC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)SC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2S/c25-24(26)17-18(21-12-22-19(17)27-16-4-2-1-3-5-16)23-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15H,6-11H2,(H,21,22,23)