7-but-2-ynyl-1-methyl-3-(3-phenylmethoxypropyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(3-phenylmethoxypropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(3-benzyloxypropyl)-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-(3-phenylmethoxypropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-(3-phenylmethoxypropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(3-benzoxypropyl)-7-but-2-ynyl-1-methyl-8-piperazino-xanthine Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CCCOCC4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CCCOCC4=CC=CC=C4

InChI

InChI=1S/C24H30N6O3/c1-3-4-13-29-20-21(26-23(29)28-15-11-25-12-16-28)30(24(32)27(2)22(20)31)14-8-17-33-18-19-9-6-5-7-10-19/h5-7,9-10,25H,8,11-18H2,1-2H3