8-azanyl-1,3-bis(cyclopropylmethyl)-7-[(3,4,5-trimethoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-[(3,4,5-trimethoxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(3,4,5-trimethoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(3,4,5-trimethoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-[(3,4,5-trimethoxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(3,4,5-trimethoxybenzyl)xanthine Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C23H29N5O5/c1-31-16-8-15(9-17(32-2)19(16)33-3)12-26-18-20(25-22(26)24)27(10-13-4-5-13)23(30)28(21(18)29)11-14-6-7-14/h8-9,13-14H,4-7,10-12H2,1-3H3,(H2,24,25)