1-cyano-1,3-bis(2-diethylaminoethyl)-3-(2-phenylsulfanylethyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(2-phenylsulfanylethyl)guanidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(2-phenylsulfanylethyl)guanidine CAS Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-[2-(phenylthio)ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-cyano-1,3-bis(2-diethylaminoethyl)-3-(2-phenylsulfanylethyl)guanidine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-cyano-1,3-bis(2-diethylaminoethyl)-3-[2-(phenylthio)ethyl]guanidine Formula: C28H46N6O7S MolecularWeight: 610.76584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCSC1=CC=CC=C1)C(=N)N(CCN(CC)CC)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN(CCSC1=CC=CC=C1)C(=N)N(CCN(CC)CC)C#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H38N6S.C6H8O7/c1-5-25(6-2)14-16-27(18-19-29-21-12-10-9-11-13-21)22(24)28(20-23)17-15-26(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13,24H,5-8,14-19H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)