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

Systemtic Name: 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H12N4O3S/c15-10-7-11(19)17-14(16-10)22-6-5-18-12(20)8-3-1-2-4-9(8)13(18)21/h1-4,7H,5-6H2,(H3,15,16,17,19)