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

Systemtic Name: S-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-aminophenyl)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-aminophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-aminophenyl)-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-aminophenyl)thiazol-2-yl]amino] ester Formula: C26H33N9OS2 MolecularWeight: 551.72992

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N9OS2/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,1-4,9-16,27H2,(H,28,31)