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

Systemtic Name: S-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-bromophenyl)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-bromophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-bromophenyl)-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-bromophenyl)thiazol-2-yl]amino] ester Formula: C26H31BrN8OS2 MolecularWeight: 615.61134

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN8OS2/c27-20-7-5-19(6-8-20)21-18-37-25(28-21)31-38-26(36)35-15-13-33(14-16-35)23-17-22(32-9-1-2-10-32)29-24(30-23)34-11-3-4-12-34/h5-8,17-18H,1-4,9-16H2,(H,28,31)