naphthalene-2-sulfonic acid; 2-piperazin-1-ylpyrimidine

Systemtic Name: naphthalene-2-sulfonic acid; 2-piperazin-1-ylpyrimidine Openeye Name: naphthalene-2-sulfonic acid; 2-piperazin-1-ylpyrimidine CAS Name: 2-naphthalenesulfonic acid; 2-(1-piperazinyl)pyrimidine IUPAC Name: naphthalene-2-sulfonic acid; 2-piperazin-1-ylpyrimidine Traditional Name: naphthalene-2-sulfonic acid; 2-piperazinopyrimidine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC=N2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=CC=N2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C10H8O3S.C8H12N4/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-7H,(H,11,12,13);1-3,9H,4-7H2