ethyl 4-[[4-azanyl-5-(2-methylphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-azanyl-5-(2-methylphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-amino-5-(2-methylbenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-amino-5-[(2-methylphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(2-methylbenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[(4-amino-5-o-toluoyl-pyrimidin-2-yl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H25N5O3/c1-3-28-20(27)25-10-8-14(9-11-25)23-19-22-12-16(18(21)24-19)17(26)15-7-5-4-6-13(15)2/h4-7,12,14H,3,8-11H2,1-2H3,(H3,21,22,23,24)