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

Systemtic Name: 8-[[(2S)-2-azanylpropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-(quinoxalin-6-ylmethyl)purine-2,6-dione Openeye Name: 8-[[(2S)-2-aminopropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-(quinoxalin-6-ylmethyl)purine-2,6-dione CAS Name: 8-[[(2S)-2-aminopropyl]-methylamino]-7-but-2-ynyl-3-methyl-1-(6-quinoxalinylmethyl)purine-2,6-dione IUPAC Name: 8-[[(2S)-2-aminopropyl]-methylamino]-7-but-2-ynyl-3-methyl-1-(quinoxalin-6-ylmethyl)purine-2,6-dione Traditional Name: 8-[[(2S)-2-aminopropyl]-methyl-amino]-7-but-2-ynyl-3-methyl-1-(quinoxalin-6-ylmethyl)xanthine Formula: C23H26N8O2 MolecularWeight: 446.50494

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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=CC4=NC=CN=C4C=C3)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N(C)C[C@H](C)N)N(C(=O)N(C2=O)CC3=CC4=NC=CN=C4C=C3)C

InChI

InChI=1S/C23H26N8O2/c1-5-6-11-30-19-20(27-22(30)28(3)13-15(2)24)29(4)23(33)31(21(19)32)14-16-7-8-17-18(12-16)26-10-9-25-17/h7-10,12,15H,11,13-14,24H2,1-4H3/t15-/m0/s1