8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-phenethyl-xanthine Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H32N6O2/c1-17(2)11-14-29-20-21(26-23(29)28-13-7-10-19(25)16-28)27(3)24(32)30(22(20)31)15-12-18-8-5-4-6-9-18/h4-6,8-9,11,19H,7,10,12-16,25H2,1-3H3