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

Systemtic Name: 5-methyl-3-(3-prop-2-ynoxyphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 5-methyl-3-(3-prop-2-ynoxyphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 5-methyl-3-(3-prop-2-ynoxyphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(3-prop-2-ynoxyphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 5-methyl-3-(3-propargyloxyphenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N7O2/c1-4-11-34-18-9-6-8-17(12-18)32-24(31-19-10-5-7-15(2)20(19)25(32)33)16(3)30-23-21-22(27-13-26-21)28-14-29-23/h1,5-10,12-14,16H,11H2,2-3H3,(H2,26,27,28,29,30)