2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide Openeye Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[3-(1-piperidyl)propyl]pyrimidine-5-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[3-(1-piperidinyl)propyl]-5-pyrimidinecarboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylamino]-4-methyl-N-(3-piperidin-1-ylpropyl)pyrimidine-5-carboxamide Traditional Name: 2-(m-anisylamino)-4-methyl-N-(3-piperidinopropyl)pyrimidine-5-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCCN2CCCCC2)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCCN2CCCCC2)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H31N5O2/c1-17-20(21(28)23-10-7-13-27-11-4-3-5-12-27)16-25-22(26-17)24-15-18-8-6-9-19(14-18)29-2/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H,23,28)(H,24,25,26)