2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-pyrimidin-5-ylpropylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[1-oxidanylidene-1-(3-pyrimidin-5-ylpropylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-oxo-2-(3-pyrimidin-5-ylpropylamino)ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-[3-(5-pyrimidinyl)propylamino]propan-2-yl]propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[1-oxo-1-(3-pyrimidin-5-ylpropylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[2-keto-1-methyl-2-[3-(5-pyrimidyl)propylamino]ethyl]propionamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CN=CN=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(C)C(=O)NCCCC2=CN=CN=C2)N)C)O

InChI

InChI=1S/C21H29N5O3/c1-13-7-17(27)8-14(2)18(13)9-19(22)21(29)26-15(3)20(28)25-6-4-5-16-10-23-12-24-11-16/h7-8,10-12,15,19,27H,4-6,9,22H2,1-3H3,(H,25,28)(H,26,29)