5-azanyl-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile

Systemtic Name: 5-azanyl-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Openeye Name: 5-amino-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile CAS Name: 5-amino-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile IUPAC Name: 5-amino-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyrano[2,3-d]imidazol-3-ium-6-carbonitrile Traditional Name: 5-amino-7-(2-tert-butylphenyl)-2-methoxy-1,7-dihydropyran[2,3-d]imidazol-3-ium-6-carbonitrile Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C2C(=C(OC3=C2NC(=[NH+]3)OC)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C2C(=C(OC3=C2NC(=[NH+]3)OC)N)C#N

InChI

InChI=1S/C18H20N4O2/c1-18(2,3)12-8-6-5-7-10(12)13-11(9-19)15(20)24-16-14(13)21-17(22-16)23-4/h5-8,13H,20H2,1-4H3,(H,21,22)/p+1