2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylic acid Openeye Name: 2-[[4-(2-naphthylsulfonyl)morpholin-2-yl]methylamino]pyrimidine-5-carboxylic acid CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-2-morpholinyl]methylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxylic acid Traditional Name: 2-[[4-(2-naphthylsulfonyl)morpholin-2-yl]methylamino]pyrimidine-5-carboxylic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)O

Isomeric SMILES

C1COC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C20H20N4O5S/c25-19(26)16-10-21-20(22-11-16)23-12-17-13-24(7-8-29-17)30(27,28)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17H,7-8,12-13H2,(H,25,26)(H,21,22,23)