8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]xanthine Formula: C27H33N7O3 MolecularWeight: 503.59602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)CN3C(=O)C4=C(N=C(N4CC=C(C)C)N5CCCC(C5)N)N(C3=O)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)CN3C(=O)C4=C(N=C(N4CC=C(C)C)N5CCCC(C5)N)N(C3=O)C

InChI

InChI=1S/C27H33N7O3/c1-17(2)12-14-33-23-24(29-26(33)32-13-8-11-20(28)15-32)31(4)27(36)34(25(23)35)16-21-18(3)37-30-22(21)19-9-6-5-7-10-19/h5-7,9-10,12,20H,8,11,13-16,28H2,1-4H3