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

Systemtic Name: 8-[2-azanylethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-[2-aminoethyl(methyl)amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]xanthine Formula: C23H26N8O2 MolecularWeight: 446.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N(C)CCN)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N(C)CCN)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C

InChI

InChI=1S/C23H26N8O2/c1-5-6-12-30-19-20(27-22(30)28(3)13-11-24)29(4)23(33)31(21(19)32)14-18-25-15(2)16-9-7-8-10-17(16)26-18/h7-10H,11-14,24H2,1-4H3