1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-benzyl-8-(benzylamino)-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 7-benzyl-8-(benzylamino)-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(benzylamino)-1,3-bis(cyclopropylmethyl)xanthine Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)NCC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)NCC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C27H29N5O2/c33-25-23-24(31(17-21-11-12-21)27(34)32(25)18-22-13-14-22)29-26(28-15-19-7-3-1-4-8-19)30(23)16-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,28,29)