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

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6OS/c14-9-5-10(15)18-13(17-9)21-6-11-16-8-4-2-1-3-7(8)12(20)19-11/h1-5H,6H2,(H,16,19,20)(H4,14,15,17,18)