N-(1H-indol-5-yl)-7-methoxy-6-[(E)-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)ethenyl]quinazolin-4-amine

Systemtic Name: N-(1H-indol-5-yl)-7-methoxy-6-[(E)-2-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)ethenyl]quinazolin-4-amine Openeye Name: N-(1H-indol-5-yl)-7-methoxy-6-[(E)-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)vinyl]quinazolin-4-amine CAS Name: N-(1H-indol-5-yl)-7-methoxy-6-[(E)-2-(6-methyl-1-oxido-3-pyridin-1-iumyl)ethenyl]-4-quinazolinamine IUPAC Name: N-(1H-indol-5-yl)-7-methoxy-6-[(E)-2-(6-methyl-1-oxidopyridin-1-ium-3-yl)ethenyl]quinazolin-4-amine Traditional Name: 1H-indol-5-yl-[7-methoxy-6-[(E)-2-(6-methyl-1-oxido-pyridin-1-ium-3-yl)vinyl]quinazolin-4-yl]amine Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C=CC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)OC)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)/C=C/C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)OC)[O-]

InChI

InChI=1S/C25H21N5O2/c1-16-3-4-17(14-30(16)31)5-6-19-12-21-23(13-24(19)32-2)27-15-28-25(21)29-20-7-8-22-18(11-20)9-10-26-22/h3-15,26H,1-2H3,(H,27,28,29)/b6-5+