3-cyclopentyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-cyclopentyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-cyclopentyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-cyclopentyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-cyclopentyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-cyclopentyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCC3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CCCC3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H20N6OS/c1-12-5-4-8-14-16(12)20(27)26(13-6-2-3-7-13)15(25-14)9-28-19-17-18(22-10-21-17)23-11-24-19/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,21,22,23,24)