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

Systemtic Name: 2,7-dimethyl-6-(pentan-3-ylamino)-9-(2,4,6-trimethylphenyl)purin-8-one Openeye Name: 6-(1-ethylpropylamino)-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one CAS Name: 2,7-dimethyl-6-(pentan-3-ylamino)-9-(2,4,6-trimethylphenyl)-8-purinone IUPAC Name: 2,7-dimethyl-6-(pentan-3-ylamino)-9-(2,4,6-trimethylphenyl)purin-8-one Traditional Name: 6-(1-ethylpropylamino)-9-mesityl-2,7-dimethyl-purin-8-one Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-8-16(9-2)24-19-18-20(23-15(6)22-19)26(21(27)25(18)7)17-13(4)10-12(3)11-14(17)5/h10-11,16H,8-9H2,1-7H3,(H,22,23,24)