methyl 3-butyl-4-oxidanylidene-2-[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[1-methyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[1-oxo-1-(2-pyrimidinylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-1-methyl-2-(2-pyrimidylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H23N5O4S/c1-4-5-11-26-18(28)15-8-7-14(19(29)30-3)12-16(15)24-21(26)31-13(2)17(27)25-20-22-9-6-10-23-20/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,23,25,27)