[6-azanyl-2-(2-azanylethylsulfanyl)pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [6-azanyl-2-(2-azanylethylsulfanyl)pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [6-amino-2-(2-aminoethylsulfanyl)pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [6-amino-2-(2-aminoethylthio)-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-(2-aminoethylsulfanyl)pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [6-amino-2-(2-aminoethylthio)pyrimidin-4-yl] ester Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=NC(=NC(=C3)N)SCCN

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=NC(=NC(=C3)N)SCCN

InChI

InChI=1S/C18H21N5O3S2/c1-23(2)14-7-3-6-13-12(14)5-4-8-15(13)28(24,25)26-17-11-16(20)21-18(22-17)27-10-9-19/h3-8,11H,9-10,19H2,1-2H3,(H2,20,21,22)