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

Systemtic Name: 2-[4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C16H16N4O3S/c17-12-9-13(21)19-16(18-12)24-8-4-3-7-20-14(22)10-5-1-2-6-11(10)15(20)23/h1-2,5-6,9H,3-4,7-8H2,(H3,17,18,19,21)