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

Systemtic Name: 8-[(2-azanyl-2-methyl-propyl)-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-[(2-amino-2-methyl-propyl)-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-[(2-amino-2-methylpropyl)-methylamino]-7-but-2-ynyl-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 8-[(2-amino-2-methylpropyl)-methylamino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-[(2-amino-2-methyl-propyl)-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]xanthine Formula: C25H30N8O2 MolecularWeight: 474.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N8O2/c1-7-8-13-32-20-21(29-23(32)30(5)15-25(3,4)26)31(6)24(35)33(22(20)34)14-19-27-16(2)17-11-9-10-12-18(17)28-19/h9-12H,13-15,26H2,1-6H3