2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-methyl-quinazolin-4-one CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-3-methyl-4-quinazolinone IUPAC Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-3-methylquinazolin-4-one Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-3-methyl-quinazolin-4-one Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H14N6OS/c1-20-12(7-22-14-18-10(15)6-11(16)19-14)17-9-5-3-2-4-8(9)13(20)21/h2-6H,7H2,1H3,(H4,15,16,18,19)