N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-(phenethylamino)pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-(phenethylamino)pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(phenethylamino)pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(phenethylamino)-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-(phenethylamino)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(phenethylamino)-N-piperonyl-pyrimidine-4-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O3/c22-16-12-25-21(23-9-8-14-4-2-1-3-5-14)26-19(16)20(27)24-11-15-6-7-17-18(10-15)29-13-28-17/h1-7,10,12H,8-9,11,13H2,(H,24,27)(H,23,25,26)