N-[(3-chlorophenyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-methyl-2-(4-methylpiperazino)pyrimidine-5-carboxamide Formula: C18H22ClN5O MolecularWeight: 359.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC(=CC=C2)Cl)N3CCN(CC3)C

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC(=CC=C2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C18H22ClN5O/c1-13-16(17(25)20-11-14-4-3-5-15(19)10-14)12-21-18(22-13)24-8-6-23(2)7-9-24/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,25)