[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Systemtic Name: [4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Openeye Name: [4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: [4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone IUPAC Name: [4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: [4-(2-amino-6-chloro-pyrimidin-4-yl)piperazino]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC(=N2)N)Cl)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC(=NC(=N2)N)Cl)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C17H18ClN5O3/c18-14-9-15(21-17(19)20-14)22-5-7-23(8-6-22)16(24)13-10-25-11-3-1-2-4-12(11)26-13/h1-4,9,13H,5-8,10H2,(H2,19,20,21)