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

Systemtic Name: 3-[3-(cyclopropylmethoxy)phenyl]-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-[3-(cyclopropylmethoxy)phenyl]-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-[3-(cyclopropylmethoxy)phenyl]-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-[3-(cyclopropylmethoxy)phenyl]-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-[3-(cyclopropylmethoxy)phenyl]-5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C26H25N7O2 MolecularWeight: 467.5224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OCC4CC4)C(C)NC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC(=CC=C3)OCC4CC4)C(C)NC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C26H25N7O2/c1-15-5-3-8-20-21(15)26(34)33(18-6-4-7-19(11-18)35-12-17-9-10-17)25(32-20)16(2)31-24-22-23(28-13-27-22)29-14-30-24/h3-8,11,13-14,16-17H,9-10,12H2,1-2H3,(H2,27,28,29,30,31)