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

Systemtic Name: propyl 4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-3-12-30-21(28)26-10-8-14(9-11-26)24-20-23-13-16(19(22)25-20)18(27)15-6-4-5-7-17(15)29-2/h4-7,13-14H,3,8-12H2,1-2H3,(H3,22,23,24,25)