6,7-dimethoxy-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C18H20N4O4S/c1-4-5-10-6-16(23)22-18(19-10)27-9-15-20-12-8-14(26-3)13(25-2)7-11(12)17(24)21-15/h6-8H,4-5,9H2,1-3H3,(H,19,22,23)(H,20,21,24)