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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(1-oxidanylidene-1-phenyl-propan-2-yl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-(1-methyl-2-oxo-2-phenyl-ethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(1-oxo-1-phenylpropan-2-yl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-(2-keto-1-methyl-2-phenyl-ethyl)-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCCC(C4)N)N(C2=O)C

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCCC(C4)N)N(C2=O)C

InChI

InChI=1S/C25H32N6O3/c1-16(2)12-14-30-20-22(27-24(30)29-13-8-11-19(26)15-29)28(4)25(34)31(23(20)33)17(3)21(32)18-9-6-5-7-10-18/h5-7,9-10,12,17,19H,8,11,13-15,26H2,1-4H3