8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-1-[(3,4-dimethoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(3,4-dimethoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-3-methyl-1-veratryl-xanthine Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C24H30N6O4/c1-5-6-12-29-20-21(26-23(29)28-11-7-8-17(25)15-28)27(2)24(32)30(22(20)31)14-16-9-10-18(33-3)19(13-16)34-4/h9-10,13,17H,7-8,11-12,14-15,25H2,1-4H3