methyl 3-[2-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C20H19ClN4O4S/c1-12(18(27)24-16-8-7-13(21)11-22-16)30-20-23-15-6-4-3-5-14(15)19(28)25(20)10-9-17(26)29-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,24,27)