6-[[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(2-chloroanilino)quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[4-(2-chloroanilino)-2-quinazolinyl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(2-chloroanilino)quinazolin-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[4-(2-chloroanilino)quinazolin-2-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-26-13(11-18(28)27(2)21(26)29)12-30-20-24-16-9-5-3-7-14(16)19(25-20)23-17-10-6-4-8-15(17)22/h3-11H,12H2,1-2H3,(H,23,24,25)