8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenylpyridin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenylpyridin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenyl-2-pyridyl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenyl-2-pyridinyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenylpyridin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-phenyl-2-pyridyl)methyl]xanthine Formula: C28H33N7O2 MolecularWeight: 499.60732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC=C(C=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC=C(C=C4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H33N7O2/c1-19(2)13-15-34-24-25(31-27(34)33-14-7-10-22(29)17-33)32(3)28(37)35(26(24)36)18-23-12-11-21(16-30-23)20-8-5-4-6-9-20/h4-6,8-9,11-13,16,22H,7,10,14-15,17-18,29H2,1-3H3