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

Systemtic Name: 8-[[(2S)-2-azanylpropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-[[(2S)-2-aminopropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-[[(2S)-2-aminopropyl]-methylamino]-7-but-2-ynyl-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 8-[[(2S)-2-aminopropyl]-methylamino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-[[(2S)-2-aminopropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]xanthine Formula: C24H28N8O2 MolecularWeight: 460.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC#CCN1C2=C(N=C1N(C)C[C@H](C)N)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C

InChI

InChI=1S/C24H28N8O2/c1-6-7-12-31-20-21(28-23(31)29(4)13-15(2)25)30(5)24(34)32(22(20)33)14-19-26-16(3)17-10-8-9-11-18(17)27-19/h8-11,15H,12-14,25H2,1-5H3/t15-/m0/s1