1-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-[4-(diethylamino)phenyl]-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-[4-(diethylamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-[4-(diethylamino)phenyl]-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-[4-(diethylamino)phenyl]-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C27H37N7O3 MolecularWeight: 507.62778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCNCC4)N(C2=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCNCC4)N(C2=O)C

InChI

InChI=1S/C27H37N7O3/c1-6-31(7-2)21-10-8-20(9-11-21)22(35)18-34-25(36)23-24(30(5)27(34)37)29-26(32-16-13-28-14-17-32)33(23)15-12-19(3)4/h8-12,28H,6-7,13-18H2,1-5H3