N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-2-(2-cyclopropylpiperazin-1-yl)-6-methyl-pyrimidine-4-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-2-(2-cyclopropylpiperazin-1-yl)-6-methyl-pyrimidine-4-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-2-(2-cyclopropylpiperazin-1-yl)-6-methyl-pyrimidine-4-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-(2-cyclopropyl-1-piperazinyl)-6-methyl-4-pyrimidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-(2-cyclopropylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-2-(2-cyclopropylpiperazino)-6-methyl-pyrimidine-4-carboxamide Formula: C21H27ClN6O MolecularWeight: 414.93168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)N3CCNCC3C4CC4

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)N3CCNCC3C4CC4

InChI

InChI=1S/C21H27ClN6O/c1-13-8-18(20(29)25-11-16-9-17(22)5-4-15(16)10-23)27-21(26-13)28-7-6-24-12-19(28)14-2-3-14/h4-5,8-9,14,19,24H,2-3,6-7,10-12,23H2,1H3,(H,25,29)