2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-prop-2-ynoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-prop-2-ynoxyphenyl)quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-prop-2-ynoxyphenyl)quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-prop-2-ynoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-prop-2-ynoxyphenyl)quinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-5-methyl-3-(2-propargyloxyphenyl)quinazolin-4-one Formula: C24H19N7O2 MolecularWeight: 437.45336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OCC#C)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OCC#C)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C24H19N7O2/c1-3-11-33-18-10-5-4-9-17(18)31-19(29-16-8-6-7-15(2)20(16)24(31)32)12-30-14-28-21-22(25)26-13-27-23(21)30/h1,4-10,13-14H,11-12H2,2H3,(H2,25,26,27)