8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(quinoxalin-5-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(quinoxalin-5-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-3-methyl-1-(quinoxalin-5-ylmethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-3-methyl-1-(5-quinoxalinylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(quinoxalin-5-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-3-methyl-1-(quinoxalin-5-ylmethyl)xanthine Formula: C24H26N8O2 MolecularWeight: 458.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=C5C(=CC=C4)N=CC=N5)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=C5C(=CC=C4)N=CC=N5)C

InChI

InChI=1S/C24H26N8O2/c1-3-4-13-31-20-21(28-23(31)30-12-6-8-17(25)15-30)29(2)24(34)32(22(20)33)14-16-7-5-9-18-19(16)27-11-10-26-18/h5,7,9-11,17H,6,8,12-15,25H2,1-2H3