N-[4-(3,5-ditert-butylphenyl)-4-oxidanyl-5H-1,3-thiazol-2-yl]-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-(3,5-ditert-butylphenyl)-4-oxidanyl-5H-1,3-thiazol-2-yl]-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[4-(3,5-ditert-butylphenyl)-4-hydroxy-5H-thiazol-2-yl]-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-N-[4-(3,5-ditert-butylphenyl)-4-hydroxy-5H-thiazol-2-yl]-1-piperazinecarboxamide IUPAC Name: N-[4-(3,5-ditert-butylphenyl)-4-hydroxy-5H-1,3-thiazol-2-yl]-4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-[4-(3,5-ditert-butylphenyl)-4-hydroxy-2-thiazolin-2-yl]-4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C34H50N8O2S MolecularWeight: 634.8782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2(CSC(=N2)NC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2(CSC(=N2)NC(=O)N3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)O)C(C)(C)C

InChI

InChI=1S/C34H50N8O2S/c1-32(2,3)24-19-25(33(4,5)6)21-26(20-24)34(44)23-45-30(38-34)37-31(43)42-17-15-40(16-18-42)28-22-27(39-11-7-8-12-39)35-29(36-28)41-13-9-10-14-41/h19-22,44H,7-18,23H2,1-6H3,(H,37,38,43)