2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2,6-bis(chloranyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2,6-bis(chloranyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2,6-dichlorophenyl)quinazolin-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2,6-dichlorophenyl)-4-quinazolinone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2,6-dichlorophenyl)quinazolin-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2,6-dichlorophenyl)quinazolin-4-one Formula: C20H13Cl2N7OS MolecularWeight: 470.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C20H13Cl2N7OS/c21-11-5-3-6-12(22)16(11)29-14(26-13-7-2-1-4-10(13)19(29)30)8-31-20-27-15-17(23)24-9-25-18(15)28-20/h1-7,9H,8H2,(H3,23,24,25,27,28)