2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]isoindole-1,3-dione Openeye Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]isoindoline-1,3-dione CAS Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]isoindole-1,3-dione Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]isoindoline-1,3-quinone Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H10N4O4S/c15-9-5-10(19)17-14(16-9)23-6-11(20)18-12(21)7-3-1-2-4-8(7)13(18)22/h1-5H,6H2,(H3,15,16,17,19)