methyl 4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O4S/c1-3-4-11-8-15(23)22-18(19-11)27-9-14-20-13-7-10(17(25)26-2)5-6-12(13)16(24)21-14/h5-8H,3-4,9H2,1-2H3,(H,19,22,23)(H,20,21,24)