8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(naphthalen-2-ylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(naphthalen-2-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(2-naphthylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(2-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(naphthalen-2-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(2-naphthylmethyl)xanthine Formula: C24H23ClN4O2 MolecularWeight: 434.91802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)Cl)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)Cl)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C24H23ClN4O2/c25-23-26-21-20(27(23)14-17-9-10-18-3-1-2-4-19(18)11-17)22(30)29(13-16-7-8-16)24(31)28(21)12-15-5-6-15/h1-4,9-11,15-16H,5-8,12-14H2