5-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylamino)pyrimidine-4-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)NCCC4=CC=CC=C4

InChI

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