8-(cyclopentylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-7-[(4-isopropoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1,3-dimethyl-7-[(4-propan-2-yloxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-7-(4-isopropoxybenzyl)-1,3-dimethyl-xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H29N5O3/c1-14(2)30-17-11-9-15(10-12-17)13-27-18-19(25(3)22(29)26(4)20(18)28)24-21(27)23-16-7-5-6-8-16/h9-12,14,16H,5-8,13H2,1-4H3,(H,23,24)