1-(3-pyridin-4-ylsulfanylpropyl)quinazoline-2,4-dione

Systemtic Name: 1-(3-pyridin-4-ylsulfanylpropyl)quinazoline-2,4-dione Openeye Name: 1-[3-(4-pyridylsulfanyl)propyl]quinazoline-2,4-dione CAS Name: 1-[3-(pyridin-4-ylthio)propyl]quinazoline-2,4-dione IUPAC Name: 1-(3-pyridin-4-ylsulfanylpropyl)quinazoline-2,4-dione Traditional Name: 1-[3-(4-pyridylthio)propyl]quinazoline-2,4-quinone Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(=O)N2CCCSC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC(=O)N2CCCSC3=CC=NC=C3

InChI

InChI=1S/C16H15N3O2S/c20-15-13-4-1-2-5-14(13)19(16(21)18-15)10-3-11-22-12-6-8-17-9-7-12/h1-2,4-9H,3,10-11H2,(H,18,20,21)