8-(2-azanylethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-aminoethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-(2-aminoethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(2-aminoethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-(2-aminoethoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H25N5O4/c1-14(2)9-11-25-17-18(23-20(25)30-12-10-22)24(3)21(29)26(19(17)28)13-16(27)15-7-5-4-6-8-15/h4-9H,10-13,22H2,1-3H3