ethyl N-[[5-methyl-4-[5-[(2-oxidanyl-1-phenyl-ethyl)carbamoyl]-1H-pyrrol-3-yl]pyrimidin-2-yl]amino]carbamate

Systemtic Name: ethyl N-[[5-methyl-4-[5-[(2-oxidanyl-1-phenyl-ethyl)carbamoyl]-1H-pyrrol-3-yl]pyrimidin-2-yl]amino]carbamate Openeye Name: ethyl N-[[4-[5-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]carbamate CAS Name: N-[[4-[5-[[(2-hydroxy-1-phenylethyl)amino]-oxomethyl]-1H-pyrrol-3-yl]-5-methyl-2-pyrimidinyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-[5-[(2-hydroxy-1-phenylethyl)carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]carbamate Traditional Name: N-[[4-[5-[(2-hydroxy-1-phenyl-ethyl)carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]carbamic acid ethyl ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)NNC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N6O4/c1-3-31-21(30)27-26-20-23-10-13(2)18(25-20)15-9-16(22-11-15)19(29)24-17(12-28)14-7-5-4-6-8-14/h4-11,17,22,28H,3,12H2,1-2H3,(H,24,29)(H,27,30)(H,23,25,26)