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

Systemtic Name: 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-piperazino-xanthine Formula: C24H26N8O2 MolecularWeight: 458.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C

InChI

InChI=1S/C24H26N8O2/c1-4-5-12-31-20-21(28-23(31)30-13-10-25-11-14-30)29(3)24(34)32(22(20)33)15-19-26-16(2)17-8-6-7-9-18(17)27-19/h6-9,25H,10-15H2,1-3H3