2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N)OC1

InChI

InChI=1S/C15H16N4O3S/c16-13-7-14(17)19-15(18-13)23-8-10(20)9-2-3-11-12(6-9)22-5-1-4-21-11/h2-3,6-7H,1,4-5,8H2,(H4,16,17,18,19)