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

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H11ClN6OS MolecularWeight: 334.78404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=O)N=C(N2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=O)N=C(N2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H11ClN6OS/c14-6-1-2-8-7(3-6)12(21)20-11(17-8)5-22-13-18-9(15)4-10(16)19-13/h1-4H,5H2,(H,17,20,21)(H4,15,16,18,19)