N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-2-morpholin-4-yl-pyrimidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloranyl-2-morpholin-4-yl-pyrimidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-morpholino-pyrimidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-(4-morpholinyl)-4-pyrimidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-morpholin-4-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homopiperonyl-2-morpholino-pyrimidine-4-carboxamide Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)C(=O)NCCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H19ClN4O4/c19-13-10-21-18(23-5-7-25-8-6-23)22-16(13)17(24)20-4-3-12-1-2-14-15(9-12)27-11-26-14/h1-2,9-10H,3-8,11H2,(H,20,24)