2,7,8-tris(azanyl)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-chromene-3-carbonitrile

Systemtic Name: 2,7,8-tris(azanyl)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-chromene-3-carbonitrile Openeye Name: 2,7,8-triamino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-chromene-3-carbonitrile CAS Name: 2,7,8-triamino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2,7,8-triamino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-chromene-3-carbonitrile Traditional Name: 2,7,8-triamino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-chromene-3-carbonitrile Formula: C17H15BrN4O3 MolecularWeight: 403.23

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)O

InChI

InChI=1S/C17H15BrN4O3/c1-24-12-5-7(4-10(18)15(12)23)13-8-2-3-11(20)14(21)16(8)25-17(22)9(13)6-19/h2-5,13,23H,20-22H2,1H3