4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide Formula: C27H28ClN7O3S MolecularWeight: 566.07432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCCO5)CCC6=CC=CS6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCCO5)CCC6=CC=CS6

InChI

InChI=1S/C27H28ClN7O3S/c28-24-15-25(32-27(31-24)35-8-6-29-18-35)34-10-9-33(7-5-20-2-1-13-39-20)21(17-34)26(36)30-16-19-3-4-22-23(14-19)38-12-11-37-22/h1-4,6,8,13-15,18,21H,5,7,9-12,16-17H2,(H,30,36)