3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-2-thioxo-1H-quinazolin-4-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNN2C(=O)C3=CC=CC=C3NC2=S)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNN2C(=O)C3=CC=CC=C3NC2=S)C1=O)CO

InChI

InChI=1S/C16H14N4O3S/c1-9-14(22)12(10(8-21)6-17-9)7-18-20-15(23)11-4-2-3-5-13(11)19-16(20)24/h2-7,18,21H,8H2,1H3,(H,19,24)