2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H17Cl2N5OS MolecularWeight: 458.36358

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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)Cl)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N5OS/c1-2-15-18(11-3-5-12(22)6-4-11)19(24)28-21(26-15)30-10-17-25-16-9-13(23)7-8-14(16)20(29)27-17/h3-9H,2,10H2,1H3,(H2,24,26,28)(H,25,27,29)