3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-6-propyl-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-6-propyl-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-6-propyl-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-(1-piperazinyl)-6-propylimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazin-1-yl-6-propylimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-but-2-ynyl-5-(1,5-naphthyridin-3-ylmethyl)-2-piperazino-6-propyl-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C25H28N8O2 MolecularWeight: 472.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C(=O)N1CC3=CC4=C(C=CC=N4)N=C3)N(C(=N2)N5CCNCC5)CC#CC

Isomeric SMILES

CCCN1C(=O)C2=C(C(=O)N1CC3=CC4=C(C=CC=N4)N=C3)N(C(=N2)N5CCNCC5)CC#CC

InChI

InChI=1S/C25H28N8O2/c1-3-5-12-31-22-21(29-25(31)30-13-9-26-10-14-30)23(34)32(11-4-2)33(24(22)35)17-18-15-20-19(28-16-18)7-6-8-27-20/h6-8,15-16,26H,4,9-14,17H2,1-2H3