tert-butyl N-[5-cyano-4-phenylmethoxy-6-(prop-2-enylamino)pyrimidin-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[5-cyano-4-phenylmethoxy-6-(prop-2-enylamino)pyrimidin-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-(allylamino)-6-benzyloxy-5-cyano-pyrimidin-2-yl]-N-methyl-carbamate CAS Name: N-[5-cyano-4-phenylmethoxy-6-(prop-2-enylamino)-2-pyrimidinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-cyano-4-phenylmethoxy-6-(prop-2-enylamino)pyrimidin-2-yl]-N-methylcarbamate Traditional Name: N-[4-(allylamino)-6-benzoxy-5-cyano-pyrimidin-2-yl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=NC(=C(C(=N1)OCC2=CC=CC=C2)C#N)NCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=NC(=C(C(=N1)OCC2=CC=CC=C2)C#N)NCC=C

InChI

InChI=1S/C21H25N5O3/c1-6-12-23-17-16(13-22)18(28-14-15-10-8-7-9-11-15)25-19(24-17)26(5)20(27)29-21(2,3)4/h6-11H,1,12,14H2,2-5H3,(H,23,24,25)