2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H14N4O3S/c15-12-6-13(16)18-14(17-12)22-7-9(19)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5-6H,3-4,7H2,(H4,15,16,17,18)