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

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-phenethyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-methyl-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-methyl-3-phenethylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-methyl-3-phenethyl-quinazolin-4-one Formula: C23H21N7OS MolecularWeight: 443.52414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)CCC3=CC=CC=C3)CSC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)CCC3=CC=CC=C3)CSC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C23H21N7OS/c1-14-6-5-9-16-18(14)22(31)30(11-10-15-7-3-2-4-8-15)17(27-16)12-32-21-19-20(26-13-25-19)28-23(24)29-21/h2-9,13H,10-12H2,1H3,(H3,24,25,26,28,29)