2-[4-(4-azanyl-5-isocyano-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(4-azanyl-5-isocyano-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(4-amino-5-isocyano-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-(4-amino-5-isocyano-2-pyrimidinyl)-3,5-dimethyl-1-piperazinyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-amino-5-isocyanopyrimidin-2-yl)-3,5-dimethylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(4-amino-5-isocyano-pyrimidin-2-yl)-3,5-dimethyl-piperazino]-N-(2-chlorophenyl)acetamide Formula: C19H22ClN7O MolecularWeight: 399.87728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=C(C(=N2)N)[N+]#[C-])C)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1CN(CC(N1C2=NC=C(C(=N2)N)[N+]#[C-])C)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN7O/c1-12-9-26(11-17(28)24-15-7-5-4-6-14(15)20)10-13(2)27(12)19-23-8-16(22-3)18(21)25-19/h4-8,12-13H,9-11H2,1-2H3,(H,24,28)(H2,21,23,25)