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

Systemtic Name: 3-(cyclopropylmethyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(cyclopropylmethyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(cyclopropylmethyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(cyclopropylmethyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(cyclopropylmethyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)CC3CC3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)CC3CC3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C19H18N6OS/c1-11-3-2-4-13-15(11)19(26)25(7-12-5-6-12)14(24-13)8-27-18-16-17(21-9-20-16)22-10-23-18/h2-4,9-10,12H,5-8H2,1H3,(H,20,21,22,23)