[6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl] N,N-dipropylcarbamodithioate

Systemtic Name: [6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl] N,N-dipropylcarbamodithioate Openeye Name: [6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitro-pyrimidin-4-yl] N,N-dipropylcarbamodithioate CAS Name: N,N-dipropylcarbamodithioic acid [6-[4-[6-[[(dipropylamino)-sulfanylidenemethyl]thio]-2-methyl-5-nitro-4-pyrimidinyl]-1-piperazinyl]-2-methyl-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-[4-[6-(dipropylcarbamothioylsulfanyl)-2-methyl-5-nitropyrimidin-4-yl]piperazin-1-yl]-2-methyl-5-nitropyrimidin-4-yl] N,N-dipropylcarbamodithioate Traditional Name: N,N-dipropylcarbamodithioic acid [6-[4-[6-(dipropylthiocarbamoylthio)-2-methyl-5-nitro-pyrimidin-4-yl]piperazino]-2-methyl-5-nitro-pyrimidin-4-yl] ester Formula: C28H42N10O4S4 MolecularWeight: 710.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)SC1=NC(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=C(C(=NC(=N3)C)SC(=S)N(CCC)CCC)[N+](=O)[O-])C

Isomeric SMILES

CCCN(CCC)C(=S)SC1=NC(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=C(C(=NC(=N3)C)SC(=S)N(CCC)CCC)[N+](=O)[O-])C

InChI

InChI=1S/C28H42N10O4S4/c1-7-11-35(12-8-2)27(43)45-25-21(37(39)40)23(29-19(5)31-25)33-15-17-34(18-16-33)24-22(38(41)42)26(32-20(6)30-24)46-28(44)36(13-9-3)14-10-4/h7-18H2,1-6H3