5-azaniumyl-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoate

Systemtic Name: 5-azaniumyl-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoate Openeye Name: 5-azaniumyl-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoate CAS Name: 5-ammonio-2-[[5-[6-(dimethylamino)-9-purinyl]pentoxy-oxomethyl]amino]pentanoate IUPAC Name: 5-azaniumyl-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]pentanoate Traditional Name: 5-ammonio-2-[5-[6-(dimethylamino)purin-9-yl]pentoxycarbonylamino]valerate Formula: C18H29N7O4 MolecularWeight: 407.46736

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2CCCCCOC(=O)NC(CCC[NH3+])C(=O)[O-]

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2CCCCCOC(=O)NC(CCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C18H29N7O4/c1-24(2)15-14-16(21-11-20-15)25(12-22-14)9-4-3-5-10-29-18(28)23-13(17(26)27)7-6-8-19/h11-13H,3-10,19H2,1-2H3,(H,23,28)(H,26,27)