S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate

Systemtic Name: S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-nitrophenyl)thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarbothioic acid S-[[4-(4-nitrophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Traditional Name: 4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazine-1-carbothioic acid S-[[4-(4-nitrophenyl)thiazol-2-yl]amino] ester Formula: C26H31N9O3S2 MolecularWeight: 581.71284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)SNC5=NC(=CS5)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)SNC5=NC(=CS5)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H31N9O3S2/c36-26(40-30-25-27-21(18-39-25)19-5-7-20(8-6-19)35(37)38)34-15-13-32(14-16-34)23-17-22(31-9-1-2-10-31)28-24(29-23)33-11-3-4-12-33/h5-8,17-18H,1-4,9-16H2,(H,27,30)