3-[(2-methoxyphenyl)-(7H-purin-6-ylsulfanyl)methyl]quinazolin-4-one

Systemtic Name: 3-[(2-methoxyphenyl)-(7H-purin-6-ylsulfanyl)methyl]quinazolin-4-one Openeye Name: 3-[(2-methoxyphenyl)-(7H-purin-6-ylsulfanyl)methyl]quinazolin-4-one CAS Name: 3-[(2-methoxyphenyl)-(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-[(2-methoxyphenyl)-(7H-purin-6-ylsulfanyl)methyl]quinazolin-4-one Traditional Name: 3-[(2-methoxyphenyl)-(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H16N6O2S MolecularWeight: 416.45574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(N2C=NC3=CC=CC=C3C2=O)SC4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=CC=CC=C1C(N2C=NC3=CC=CC=C3C2=O)SC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H16N6O2S/c1-29-16-9-5-3-7-14(16)21(30-19-17-18(23-10-22-17)24-11-25-19)27-12-26-15-8-4-2-6-13(15)20(27)28/h2-12,21H,1H3,(H,22,23,24,25)