N-[5-[3-butyl-2,4-bis(oxidanylidene)-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-yl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-[5-[3-butyl-2,4-bis(oxidanylidene)-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-yl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-[5-(3-butyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[5-(3-butyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-[5-(3-butyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)pyridin-2-yl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-[5-(3-butyl-2,4-diketo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridyl]-N-ethyl-6-(trifluoromethyl)nicotinamide Formula: C27H29F3N6O3 MolecularWeight: 542.55277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(N2)C3=CN=C(C=C3)N(CC)C(=O)C4=CN=C(C=C4)C(F)(F)F)N(C1=O)CCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(N2)C3=CN=C(C=C3)N(CC)C(=O)C4=CN=C(C=C4)C(F)(F)F)N(C1=O)CCC

InChI

InChI=1S/C27H29F3N6O3/c1-4-7-13-36-25(38)23-20(35(12-5-2)26(36)39)14-19(33-23)17-9-11-22(32-15-17)34(6-3)24(37)18-8-10-21(31-16-18)27(28,29)30/h8-11,14-16,33H,4-7,12-13H2,1-3H3