2-[[methyl-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[methyl-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[methyl-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[methyl-[[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[methyl-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=O)N=C(N1)SC)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CN(CC1=CC(=O)N=C(N1)SC)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H17N5O2S/c1-21(8-10-7-14(22)20-16(17-10)24-2)9-13-18-12-6-4-3-5-11(12)15(23)19-13/h3-7H,8-9H2,1-2H3,(H,17,20,22)(H,18,19,23)