2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c14-9-5-11(19)18-13(16-9)21-6-10-15-8-4-2-1-3-7(8)12(20)17-10/h1-5H,6H2,(H,15,17,20)(H3,14,16,18,19)