N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-ethanamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-pyrrolidin-1-yl-ethanone

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-ethanamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-pyrrolidin-1-yl-ethanone Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxo-acetamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-oxoacetamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-(1-pyrrolidinyl)ethanone IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-oxoacetamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-pyrrolidin-1-ylethanone Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-keto-acetamide; 2-(1,4-diazabicyclo[2.2.0]hexan-3-yl)-1-pyrrolidino-ethanone Formula: C26H34N8O4 MolecularWeight: 522.59936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C=O)C2=CC=CC=C2.C1CCN(C1)C(=O)CC2CN3N2CC3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C=O)C2=CC=CC=C2.C1CCN(C1)C(=O)CC2CN3N2CC3

InChI

InChI=1S/C16H17N5O3.C10H17N3O/c1-11(23)17-7-8-18-13-9-14(19-15(24)10-22)21-16(20-13)12-5-3-2-4-6-12;14-10(11-3-1-2-4-11)7-9-8-12-5-6-13(9)12/h2-6,9-10H,7-8H2,1H3,(H,17,23)(H2,18,19,20,21,24);9H,1-8H2