2-(7H-purin-6-ylsulfanylmethyl)-3-pyridin-4-yl-quinazolin-4-one

Systemtic Name: 2-(7H-purin-6-ylsulfanylmethyl)-3-pyridin-4-yl-quinazolin-4-one Openeye Name: 2-(7H-purin-6-ylsulfanylmethyl)-3-(4-pyridyl)quinazolin-4-one CAS Name: 2-[(7H-purin-6-ylthio)methyl]-3-pyridin-4-yl-4-quinazolinone IUPAC Name: 2-(7H-purin-6-ylsulfanylmethyl)-3-pyridin-4-ylquinazolin-4-one Traditional Name: 2-[(7H-purin-6-ylthio)methyl]-3-(4-pyridyl)quinazolin-4-one Formula: C19H13N7OS MolecularWeight: 387.41782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=NC=C5

InChI

InChI=1S/C19H13N7OS/c27-19-13-3-1-2-4-14(13)25-15(26(19)12-5-7-20-8-6-12)9-28-18-16-17(22-10-21-16)23-11-24-18/h1-8,10-11H,9H2,(H,21,22,23,24)