3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(3-pyridylmethyl)purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-1-propyl-8-(3-pyridylmethyl)xanthine Formula: C28H37N7O2 MolecularWeight: 503.63908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CCN(CC)CC)CC3=CN=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CCN(CC)CC)CC3=CN=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C28H37N7O2/c1-4-15-35-27(36)25-26(34(28(35)37)16-13-21-9-11-23(29)12-10-21)31-24(19-22-8-7-14-30-20-22)33(25)18-17-32(5-2)6-3/h7-12,14,20H,4-6,13,15-19,29H2,1-3H3