3-[2,6-bis(chloranyl)phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2,6-dichlorophenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2,6-dichlorophenyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2,6-dichlorophenyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H14Cl2N6OS MolecularWeight: 469.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(C=CC=C3Cl)Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(C=CC=C3Cl)Cl)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H14Cl2N6OS/c1-11-4-2-7-14-16(11)21(30)29(18-12(22)5-3-6-13(18)23)15(28-14)8-31-20-17-19(25-9-24-17)26-10-27-20/h2-7,9-10H,8H2,1H3,(H,24,25,26,27)