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

Systemtic Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[(4-phenylthiazol-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-phenyl-2-thiazolyl)amino] ester IUPAC Name: S-[(4-phenyl-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-phenylthiazol-2-yl)amino] ester Formula: C26H32N8OS2 MolecularWeight: 536.71528

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C26H32N8OS2/c35-26(37-30-25-27-21(19-36-25)20-8-2-1-3-9-20)34-16-14-32(15-17-34)23-18-22(31-10-4-5-11-31)28-24(29-23)33-12-6-7-13-33/h1-3,8-9,18-19H,4-7,10-17H2,(H,27,30)