2-[4-(methylamino)-2-piperazin-1-yl-pyrimidin-5-yl]ethanol; naphthalene-2-sulfonic acid

Systemtic Name: 2-[4-(methylamino)-2-piperazin-1-yl-pyrimidin-5-yl]ethanol; naphthalene-2-sulfonic acid Openeye Name: 2-[4-(methylamino)-2-piperazin-1-yl-pyrimidin-5-yl]ethanol; naphthalene-2-sulfonic acid CAS Name: 2-[4-(methylamino)-2-(1-piperazinyl)-5-pyrimidinyl]ethanol; 2-naphthalenesulfonic acid IUPAC Name: 2-[4-(methylamino)-2-piperazin-1-ylpyrimidin-5-yl]ethanol; naphthalene-2-sulfonic acid Traditional Name: 2-[4-(methylamino)-2-piperazino-pyrimidin-5-yl]ethanol; naphthalene-2-sulfonic acid Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1CCO)N2CCNCC2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CNC1=NC(=NC=C1CCO)N2CCNCC2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C11H19N5O.C10H8O3S/c1-12-10-9(2-7-17)8-14-11(15-10)16-5-3-13-4-6-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8,13,17H,2-7H2,1H3,(H,12,14,15);1-7H,(H,11,12,13)