3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]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/c14-10-5-11(19)17-13(16-10)21-7-18-6-15-9-4-2-1-3-8(9)12(18)20/h1-6H,7H2,(H3,14,16,17,19)