4-chloranyl-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]pyrimidin-2-yl]amine Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=NC(=N4)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=NC(=N4)N)Cl)OC1

InChI

InChI=1S/C17H20ClN5O4S/c18-15-11-16(21-17(19)20-15)22-4-6-23(7-5-22)28(24,25)12-2-3-13-14(10-12)27-9-1-8-26-13/h2-3,10-11H,1,4-9H2,(H2,19,20,21)