3-[5-methyl-4-oxidanylidene-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-methyl-4-oxidanylidene-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzonitrile CAS Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]-3-quinazolinyl]benzonitrile IUPAC Name: 3-[5-methyl-4-oxo-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzonitrile Traditional Name: 3-[4-keto-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-3-yl]benzonitrile Formula: C23H18N8O MolecularWeight: 422.44202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC(=C3)C#N)C(C)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC(=C3)C#N)C(C)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H18N8O/c1-13-5-3-8-17-18(13)23(32)31(16-7-4-6-15(9-16)10-24)22(30-17)14(2)29-21-19-20(26-11-25-19)27-12-28-21/h3-9,11-12,14H,1-2H3,(H2,25,26,27,28,29)