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

Systemtic Name: S-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(3-pyridyl)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-(3-pyridinyl)-2-thiazolyl]amino] ester IUPAC Name: S-[(4-pyridin-3-yl-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-(3-pyridyl)thiazol-2-yl]amino] ester Formula: C25H31N9OS2 MolecularWeight: 537.70334

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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=CN=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C25H31N9OS2/c35-25(37-30-24-27-20(18-36-24)19-6-5-7-26-17-19)34-14-12-32(13-15-34)22-16-21(31-8-1-2-9-31)28-23(29-22)33-10-3-4-11-33/h5-7,16-18H,1-4,8-15H2,(H,27,30)