2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]purin-6-one

Systemtic Name: 2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]purin-6-one Openeye Name: 2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]purin-6-one CAS Name: 2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6-purinone IUPAC Name: 2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]purin-6-one Traditional Name: 2-methyl-9-phenyl-1-[(E)-(3,4,5-trimethoxybenzylidene)amino]purin-6-one Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C(=C3)OC)OC)OC)N=CN2C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1/N=C/C3=CC(=C(C(=C3)OC)OC)OC)N=CN2C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4/c1-14-25-21-19(23-13-26(21)16-8-6-5-7-9-16)22(28)27(14)24-12-15-10-17(29-2)20(31-4)18(11-15)30-3/h5-13H,1-4H3/b24-12+