2-[2-(1-hydroxyethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid

Systemtic Name: 2-[2-(1-hydroxyethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Openeye Name: 2-[2-(1-hydroxyethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid CAS Name: 2-[2-(1-hydroxyethyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid IUPAC Name: 2-[2-(1-hydroxyethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Traditional Name: 2-[2-(1-hydroxyethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-sulfonic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)O)O

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)O)O

InChI

InChI=1S/C15H17N3O4S/c1-10(19)15-16-6-4-14(17-15)18-7-5-11-2-3-13(23(20,21)22)8-12(11)9-18/h2-4,6,8,10,19H,5,7,9H2,1H3,(H,20,21,22)