N-[4-[4-(6-aminopurin-9-yl)butanoylamino]butyl]benzo[b]quinolizin-5-ium-9-carboxamide

Systemtic Name: N-[4-[4-(6-aminopurin-9-yl)butanoylamino]butyl]benzo[b]quinolizin-5-ium-9-carboxamide Openeye Name: N-[4-[4-(6-aminopurin-9-yl)butanoylamino]butyl]benzo[b]quinolizin-5-ium-9-carboxamide CAS Name: N-[4-[[4-(6-aminopurin-9-yl)-1-oxobutyl]amino]butyl]-9-benzo[b]quinolizin-5-iumcarboxamide IUPAC Name: N-[4-[4-(6-aminopurin-9-yl)butanoylamino]butyl]benzo[b]quinolizin-5-ium-9-carboxamide Traditional Name: N-[4-(4-adenin-9-ylbutanoylamino)butyl]benzo[b]quinolizin-5-ium-9-carboxamide Formula: C27H29N8O2+ MolecularWeight: 497.57156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)C(=O)NCCCCNC(=O)CCCN4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)C(=O)NCCCCNC(=O)CCCN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C27H28N8O2/c28-25-24-26(32-17-31-25)35(18-33-24)13-5-7-23(36)29-10-2-3-11-30-27(37)19-8-9-20-16-34-12-4-1-6-22(34)15-21(20)14-19/h1,4,6,8-9,12,14-18H,2-3,5,7,10-11,13H2,(H3-,28,29,30,31,32,36,37)/p+1