2-azanyl-8-azanylidene-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile

Systemtic Name: 2-azanyl-8-azanylidene-4-(3-bromanyl-4,5-dimethoxy-phenyl)-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-8-imino-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-8-imino-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-8-imino-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-8-imino-3a,4,5,7-tetrahydropyrano[2,3-e]benzimidazole-3-carbonitrile Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC3=CCC(=N)OC3=C4C2N(C(=N4)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC3=CCC(=N)OC3=C4C2N(C(=N4)N)C#N)Br)OC

InChI

InChI=1S/C19H18BrN5O3/c1-26-13-7-10(6-12(20)18(13)27-2)11-5-9-3-4-14(22)28-17(9)15-16(11)25(8-21)19(23)24-15/h3,6-7,11,16,22H,4-5H2,1-2H3,(H2,23,24)