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

Systemtic Name: S-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-cyanophenyl)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-cyanophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-cyanophenyl)-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-cyanophenyl)thiazol-2-yl]amino] ester Formula: C27H31N9OS2 MolecularWeight: 561.72474

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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)C#N

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)SNC5=NC(=CS5)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C27H31N9OS2/c28-18-20-5-7-21(8-6-20)22-19-38-26(29-22)32-39-27(37)36-15-13-34(14-16-36)24-17-23(33-9-1-2-10-33)30-25(31-24)35-11-3-4-12-35/h5-8,17,19H,1-4,9-16H2,(H,29,32)