3-butyl-7-ethyl-8-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(tetralin-5-ylamino)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(tetralin-5-ylamino)methyl]xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC4=C3CCCC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC4=C3CCCC4)CC

InChI

InChI=1S/C22H29N5O2/c1-3-5-13-27-20-19(21(28)25-22(27)29)26(4-2)18(24-20)14-23-17-12-8-10-15-9-6-7-11-16(15)17/h8,10,12,23H,3-7,9,11,13-14H2,1-2H3,(H,25,28,29)