ethyl 4-[[6-[2-(cyclopropylcarbamothioylsulfanyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[2-(cyclopropylcarbamothioylsulfanyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[2-(cyclopropylcarbamothioylsulfanyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[2-[[(cyclopropylamino)-sulfanylidenemethyl]thio]ethylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(cyclopropylcarbamothioylsulfanyl)ethylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[2-(cyclopropylthiocarbamoylthio)ethylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H27N7O4S2 MolecularWeight: 469.58148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCSC(=S)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCSC(=S)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N7O4S2/c1-2-29-18(26)24-8-5-13(6-9-24)22-16-14(25(27)28)15(20-11-21-16)19-7-10-31-17(30)23-12-3-4-12/h11-13H,2-10H2,1H3,(H,23,30)(H2,19,20,21,22)