3-(1-adamantylcarbamoylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[3-(2-methyl-4-pyrimidinyl)phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propionamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N5O2/c1-16-26-7-5-22(28-16)20-3-2-4-21(12-20)29-23(31)6-8-27-24(32)30-25-13-17-9-18(14-25)11-19(10-17)15-25/h2-5,7,12,17-19H,6,8-11,13-15H2,1H3,(H,29,31)(H2,27,30,32)