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

Systemtic Name: 3-butyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-butyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-butyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-butyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-butyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=CC=CC=C2C1=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CCCCN1C(=NC2=CC=CC=C2C1=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H18N6OS/c1-2-3-8-24-14(23-13-7-5-4-6-12(13)18(24)25)9-26-17-15-16(20-10-19-15)21-11-22-17/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,21,22)