3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-ethynylphenyl)-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C24H19N7O MolecularWeight: 421.45396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N7O/c1-4-16-8-6-9-17(11-16)31-23(30-18-10-5-7-14(2)19(18)24(31)32)15(3)29-22-20-21(26-12-25-20)27-13-28-22/h1,5-13,15H,2-3H3,(H2,25,26,27,28,29)