4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]-1-(phenylmethyl)imidazo[1,2-a]purin-9-one

Systemtic Name: 4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]-1-(phenylmethyl)imidazo[1,2-a]purin-9-one Openeye Name: 1-benzyl-4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]imidazo[1,2-a]purin-9-one CAS Name: 4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]-1-(phenylmethyl)-9-imidazo[1,2-a]purinone IUPAC Name: 1-benzyl-4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]imidazo[1,2-a]purin-9-one Traditional Name: 1-benzyl-4,6-dimethyl-7-[(E)-3-methylbut-1-enyl]imidazo[1,2-a]purin-9-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)C=CC(C)C

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)/C=C/C(C)C

InChI

InChI=1S/C21H23N5O/c1-14(2)10-11-17-15(3)23-21-24(4)19-18(20(27)26(17)21)25(13-22-19)12-16-8-6-5-7-9-16/h5-11,13-14H,12H2,1-4H3/b11-10+