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

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]-N-propyl-piperidine-1-carboxamide Openeye Name: 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-propyl-piperidine-1-carboxamide CAS Name: 4-[[4-amino-5-[(2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-N-propyl-1-piperidinecarboxamide IUPAC Name: 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-propylpiperidine-1-carboxamide Traditional Name: 4-[(4-amino-5-o-anisoyl-pyrimidin-2-yl)amino]-N-propyl-piperidine-1-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3/c1-3-10-23-21(29)27-11-8-14(9-12-27)25-20-24-13-16(19(22)26-20)18(28)15-6-4-5-7-17(15)30-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,29)(H3,22,24,25,26)