1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]urea

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]urea Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)C4=NNN=N4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)C4=NNN=N4)O)C

InChI

InChI=1S/C20H19N7O3/c1-20(2)17(28)16(14-8-11(10-21)6-7-15(14)30-20)23-19(29)22-13-5-3-4-12(9-13)18-24-26-27-25-18/h3-9,16-17,28H,1-2H3,(H2,22,23,29)(H,24,25,26,27)