tert-butyl 4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-amino-5-[(2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[(4-amino-5-o-anisoyl-pyrimidin-2-yl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N5O4/c1-22(2,3)31-21(29)27-11-9-14(10-12-27)25-20-24-13-16(19(23)26-20)18(28)15-7-5-6-8-17(15)30-4/h5-8,13-14H,9-12H2,1-4H3,(H3,23,24,25,26)