2-(1-phenoxybutan-2-ylamino)-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(pyridin-2-ylamino)-3-sulfonyl-propanoic acid

Systemtic Name: 2-(1-phenoxybutan-2-ylamino)-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(pyridin-2-ylamino)-3-sulfonyl-propanoic acid Openeye Name: 2-[1-(phenoxymethyl)propylamino]-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(2-pyridylamino)-3-sulfonyl-propanoic acid CAS Name: 2-(1-phenoxybutan-2-ylamino)-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(2-pyridinylamino)-3-sulfonylpropanoic acid IUPAC Name: 2-(1-phenoxybutan-2-ylamino)-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(pyridin-2-ylamino)-3-sulfonylpropanoic acid Traditional Name: 2-[1-(phenoxymethyl)propylamino]-1,2,3,4-tetrahydropyrimidin-5-ol; 3-(2-pyridylamino)-3-sulfonyl-propionic acid Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=CC=C1)NC2NCC(=CN2)O.C1=CC=NC(=C1)NC(=S(=O)=O)CC(=O)O

Isomeric SMILES

CCC(COC1=CC=CC=C1)NC2NCC(=CN2)O.C1=CC=NC(=C1)NC(=S(=O)=O)CC(=O)O

InChI

InChI=1S/C14H21N3O2.C8H8N2O4S/c1-2-11(10-19-13-6-4-3-5-7-13)17-14-15-8-12(18)9-16-14;11-8(12)5-7(15(13)14)10-6-3-1-2-4-9-6/h3-8,11,14-18H,2,9-10H2,1H3;1-4H,5H2,(H,9,10)(H,11,12)