6-[4-[(2-methyl-2-nitrososulfanyl-propyl)amino]pyrimidin-2-yl]sulfanylhexyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 6-[4-[(2-methyl-2-nitrososulfanyl-propyl)amino]pyrimidin-2-yl]sulfanylhexyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 6-[4-[(2-methyl-2-nitrososulfanyl-propyl)amino]pyrimidin-2-yl]sulfanylhexyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 6-[[4-[[2-methyl-2-(nitrosothio)propyl]amino]-2-pyrimidinyl]thio]hexyl ester IUPAC Name: 6-[4-[(2-methyl-2-nitrososulfanylpropyl)amino]pyrimidin-2-yl]sulfanylhexyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 6-[[4-[[2-methyl-2-(nitrosothio)propyl]amino]pyrimidin-2-yl]thio]hexyl ester Formula: C28H36N4O4S2 MolecularWeight: 556.73984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCCCSC3=NC=CC(=N3)NCC(C)(C)SN=O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCCCSC3=NC=CC(=N3)NCC(C)(C)SN=O

InChI

InChI=1S/C28H36N4O4S2/c1-20(21-9-10-23-18-24(35-4)12-11-22(23)17-21)26(33)36-15-7-5-6-8-16-37-27-29-14-13-25(31-27)30-19-28(2,3)38-32-34/h9-14,17-18,20H,5-8,15-16,19H2,1-4H3,(H,29,30,31)/t20-/m0/s1