7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N6O3/c1-4-30-15-14-27-17-18(23(2)21(29)24(3)19(17)28)22-20(27)26-12-10-25(11-13-26)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3