N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(pyrimidin-2-ylamino)propanamide Openeye Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(pyrimidin-2-ylamino)propanamide CAS Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2-pyrimidinylamino)propanamide IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(pyrimidin-2-ylamino)propanamide Traditional Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2-pyrimidylamino)propionamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)CCNC2=NC=CC=N2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(C1)(CNC(=O)CCNC2=NC=CC=N2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N4O3/c26-19(6-11-24-20-22-9-3-10-23-20)25-15-21(7-1-2-8-21)16-4-5-17-18(14-16)28-13-12-27-17/h3-5,9-10,14H,1-2,6-8,11-13,15H2,(H,25,26)(H,22,23,24)