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

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-bis(cyclopropylmethyl)xanthine Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c21-19-22-17-16(23(19)10-13-4-2-1-3-5-13)18(26)25(12-15-8-9-15)20(27)24(17)11-14-6-7-14/h1-5,14-15H,6-12H2