3-methyl-2-[[4-[(3-methyl-1-oxidanylidene-8aH-isoquinolin-2-ium-2-yl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-8aH-isoquinolin-2-ium-1-one

Systemtic Name: 3-methyl-2-[[4-[(3-methyl-1-oxidanylidene-8aH-isoquinolin-2-ium-2-yl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-8aH-isoquinolin-2-ium-1-one Openeye Name: 2-[[4-anilino-6-[(3-methyl-1-oxo-8aH-isoquinolin-2-ium-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-methyl-8aH-isoquinolin-2-ium-1-one CAS Name: 2-[[4-anilino-6-[(3-methyl-1-oxo-8aH-isoquinolin-2-ium-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-methyl-8aH-isoquinolin-2-ium-1-one IUPAC Name: 2-[[4-anilino-6-[(3-methyl-1-oxo-8aH-isoquinolin-2-ium-2-yl)amino]-1,3,5-triazin-2-yl]amino]-3-methyl-8aH-isoquinolin-2-ium-1-one Traditional Name: 2-[[4-anilino-6-[(1-keto-3-methyl-8aH-isoquinolin-2-ium-2-yl)amino]-s-triazin-2-yl]amino]-3-methyl-8aH-isoquinolin-2-ium-1-one Formula: C29H26N8O2+2 MolecularWeight: 518.56914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=CC=CC2=C1)NC3=NC(=NC(=N3)NC4=CC=CC=C4)N[N+]5=C(C=C6C=CC=CC6C5=O)C

Isomeric SMILES

CC1=[N+](C(=O)C2C=CC=CC2=C1)NC3=NC(=NC(=N3)NC4=CC=CC=C4)N[N+]5=C(C=C6C=CC=CC6C5=O)C

InChI

InChI=1S/C29H26N8O2/c1-18-16-20-10-6-8-14-23(20)25(38)36(18)34-28-31-27(30-22-12-4-3-5-13-22)32-29(33-28)35-37-19(2)17-21-11-7-9-15-24(21)26(37)39/h3-17,23-24H,1-2H3,(H3,30,31,32,33,34,35)/q+2