2-azanyl-N-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]-N-ethyl-pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-N-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]-N-ethyl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-2-hydroxy-propyl]-N-ethyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]-N-ethyl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-N-ethylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]-2-hydroxy-propyl]-N-ethyl-pyrimidine-4-carboxamide Formula: C21H29ClN6O3 MolecularWeight: 448.94636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CN1CCN(CC1)C2=C(C=CC(=C2)Cl)OC)O)C(=O)C3=NC(=NC=C3)N

Isomeric SMILES

CCN(CC(CN1CCN(CC1)C2=C(C=CC(=C2)Cl)OC)O)C(=O)C3=NC(=NC=C3)N

InChI

InChI=1S/C21H29ClN6O3/c1-3-27(20(30)17-6-7-24-21(23)25-17)14-16(29)13-26-8-10-28(11-9-26)18-12-15(22)4-5-19(18)31-2/h4-7,12,16,29H,3,8-11,13-14H2,1-2H3,(H2,23,24,25)