2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate; ethanedioic acid

Systemtic Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate; ethanedioic acid Openeye Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate; oxalic acid CAS Name: 5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid 2-diethylaminoethyl ester; oxalic acid IUPAC Name: 2-diethylaminoethyl 5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoate; oxalic acid Traditional Name: 5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid 2-diethylaminoethyl ester; oxalic acid Formula: C18H29N5O6S MolecularWeight: 443.51776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CCCCSC1C2=NC=NC2N=CN1.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)CCCCSC1C2=NC=NC2N=CN1.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27N5O2S.C2H2O4/c1-3-21(4-2)8-9-23-13(22)7-5-6-10-24-16-14-15(18-11-17-14)19-12-20-16;3-1(4)2(5)6/h11-12,15-16H,3-10H2,1-2H3,(H,19,20);(H,3,4)(H,5,6)