5-chloranyl-N-(3-ethoxypropyl)-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-ethoxypropyl)-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 2-(benzylamino)-5-chloro-N-(3-ethoxypropyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-ethoxypropyl)-2-[(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 2-(benzylamino)-5-chloro-N-(3-ethoxypropyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylamino)-5-chloro-N-(3-ethoxypropyl)pyrimidine-4-carboxamide Formula: C17H21ClN4O2 MolecularWeight: 348.82724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=NC(=NC=C1Cl)NCC2=CC=CC=C2

Isomeric SMILES

CCOCCCNC(=O)C1=NC(=NC=C1Cl)NCC2=CC=CC=C2

InChI

InChI=1S/C17H21ClN4O2/c1-2-24-10-6-9-19-16(23)15-14(18)12-21-17(22-15)20-11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,19,23)(H,20,21,22)