N-[2-[5-methyl-4-oxidanylidene-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]phenyl]ethanamide

Systemtic Name: N-[2-[5-methyl-4-oxidanylidene-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]phenyl]ethanamide Openeye Name: N-[2-[5-methyl-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]phenyl]acetamide CAS Name: N-[2-[5-methyl-4-oxo-2-[(7H-purin-6-ylthio)methyl]-3-quinazolinyl]phenyl]acetamide IUPAC Name: N-[2-[5-methyl-4-oxo-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-yl]phenyl]acetamide Traditional Name: N-[2-[4-keto-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-3-yl]phenyl]acetamide Formula: C23H19N7O2S MolecularWeight: 457.50766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3NC(=O)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3NC(=O)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H19N7O2S/c1-13-6-5-8-16-19(13)23(32)30(17-9-4-3-7-15(17)28-14(2)31)18(29-16)10-33-22-20-21(25-11-24-20)26-12-27-22/h3-9,11-12H,10H2,1-2H3,(H,28,31)(H,24,25,26,27)