N-[4-[but-3-ynyl-(phenylmethyl)amino]-5-methanoyl-6-methoxy-pyrimidin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-[but-3-ynyl-(phenylmethyl)amino]-5-methanoyl-6-methoxy-pyrimidin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[benzyl(but-3-ynyl)amino]-5-formyl-6-methoxy-pyrimidin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[4-[but-3-ynyl-(phenylmethyl)amino]-5-formyl-6-methoxy-2-pyrimidinyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-[benzyl(but-3-ynyl)amino]-5-formyl-6-methoxypyrimidin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[4-[benzyl(but-3-ynyl)amino]-5-formyl-6-methoxy-pyrimidin-2-yl]-2,2-dimethyl-propionamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)OC)C=O)N(CCC#C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=C(C(=N1)OC)C=O)N(CCC#C)CC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3/c1-6-7-13-26(14-16-11-9-8-10-12-16)18-17(15-27)19(29-5)24-21(23-18)25-20(28)22(2,3)4/h1,8-12,15H,7,13-14H2,2-5H3,(H,23,24,25,28)