6-(heptan-3-ylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one

Systemtic Name: 6-(heptan-3-ylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one Openeye Name: 6-(1-ethylpentylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one CAS Name: 6-(heptan-3-ylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)-8-purinone IUPAC Name: 6-(heptan-3-ylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one Traditional Name: 6-(1-ethylpentylamino)-9-mesityl-2,7-dimethyl-purin-8-one Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)C

Isomeric SMILES

CCCCC(CC)NC1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)C

InChI

InChI=1S/C23H33N5O/c1-8-10-11-18(9-2)26-21-20-22(25-17(6)24-21)28(23(29)27(20)7)19-15(4)12-14(3)13-16(19)5/h12-13,18H,8-11H2,1-7H3,(H,24,25,26)