methyl 2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H20ClN5O3S MolecularWeight: 481.9546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O3S/c1-3-16-19(12-4-7-14(24)8-5-12)20(25)29-23(27-16)33-11-18-26-17-10-13(22(31)32-2)6-9-15(17)21(30)28-18/h4-10H,3,11H2,1-2H3,(H2,25,27,29)(H,26,28,30)