1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-3-methyl-8-(1-piperazinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(2-methoxyethyl)-3-methyl-8-piperazino-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCNCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCNCC3)CC=C

InChI

InChI=1S/C16H24N6O3/c1-4-7-21-12-13(18-15(21)20-8-5-17-6-9-20)19(2)16(24)22(14(12)23)10-11-25-3/h4,17H,1,5-11H2,2-3H3