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

Systemtic Name: 3-(cyclopropylmethyl)-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(cyclopropylmethyl)-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(cyclopropylmethyl)-5-methyl-2-[[(2-methyl-7H-purin-6-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(cyclopropylmethyl)-5-methyl-2-[(2-methyl-7H-purin-6-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(cyclopropylmethyl)-5-methyl-2-[[(2-methyl-7H-purin-6-yl)thio]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)CC3CC3)CSC4=NC(=NC5=C4NC=N5)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6OS/c1-11-4-3-5-14-16(11)20(27)26(8-13-6-7-13)15(25-14)9-28-19-17-18(22-10-21-17)23-12(2)24-19/h3-5,10,13H,6-9H2,1-2H3,(H,21,22,23,24)