4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide Openeye Name: 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]piperazine-1-carboxamide CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide Traditional Name: 4-(2,6-dipyrrolidinopyrimidin-4-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]piperazine-1-carboxamide Formula: C26H31N9O3S MolecularWeight: 549.64784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H31N9O3S/c36-26(30-25-27-21(18-39-25)19-6-5-7-20(16-19)35(37)38)34-14-12-32(13-15-34)23-17-22(31-8-1-2-9-31)28-24(29-23)33-10-3-4-11-33/h5-7,16-18H,1-4,8-15H2,(H,27,30,36)