2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C13H11N5O3S/c14-9-5-10(19)16-13(15-9)22-6-11-17-18-12(20)7-3-1-2-4-8(7)21-11/h1-5H,6H2,(H,18,20)(H3,14,15,16,19)