2-[2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C23H21ClN6O2S MolecularWeight: 480.96984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN6O2S/c1-2-16-20(13-7-9-14(24)10-8-13)21(26)29-23(28-16)33-12-19-27-17-6-4-3-5-15(17)22(32)30(19)11-18(25)31/h3-10H,2,11-12H2,1H3,(H2,25,31)(H2,26,28,29)