2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 2-[(2-pyrimidinylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 2-[(2-pyrimidylthio)methyl]-1H-quinazolin-4-one Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C13H10N4OS/c18-12-9-4-1-2-5-10(9)16-11(17-12)8-19-13-14-6-3-7-15-13/h1-7H,8H2,(H,16,17,18)