2-chloranyl-4-(2,2-dimethylpropylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-chloranyl-4-(2,2-dimethylpropylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 2-chloro-4-(2,2-dimethylpropylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 2-chloro-4-(2,2-dimethylpropylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-chloro-4-(2,2-dimethylpropylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 2-chloro-4-(neopentylamino)-N-p-anisyl-pyrimidine-5-carboxamide Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C18H23ClN4O2/c1-18(2,3)11-22-15-14(10-21-17(19)23-15)16(24)20-9-12-5-7-13(25-4)8-6-12/h5-8,10H,9,11H2,1-4H3,(H,20,24)(H,21,22,23)