5-chloranyl-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-chloranyl-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-chloro-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-chloro-3-(2-methoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-chloro-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-chloro-3-(2-methoxyphenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H15ClN6O2S MolecularWeight: 450.9008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)