7-[(4-tert-butylphenyl)methyl]-2-[3-(methylamino)phenyl]-3H-purin-6-one

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(methylamino)phenyl]-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(methylamino)phenyl]-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(methylamino)phenyl]-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(methylamino)phenyl]-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-[3-(methylamino)phenyl]-3H-purin-6-one Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)NC

InChI

InChI=1S/C23H25N5O/c1-23(2,3)17-10-8-15(9-11-17)13-28-14-25-21-19(28)22(29)27-20(26-21)16-6-5-7-18(12-16)24-4/h5-12,14,24H,13H2,1-4H3,(H,26,27,29)