3-cyclopropyl-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-cyclopropyl-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-cyclopropyl-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-cyclopropyl-5-methyl-2-[[(2-methyl-7H-purin-6-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-cyclopropyl-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-cyclopropyl-5-methyl-2-[[(2-methyl-7H-purin-6-yl)thio]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)C3CC3)CSC4=NC(=NC5=C4NC=N5)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CC3)CSC4=NC(=NC5=C4NC=N5)C

InChI

InChI=1S/C19H18N6OS/c1-10-4-3-5-13-15(10)19(26)25(12-6-7-12)14(24-13)8-27-18-16-17(21-9-20-16)22-11(2)23-18/h3-5,9,12H,6-8H2,1-2H3,(H,20,21,22,23)