2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-amino-6-anilino-s-triazin-2-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20N7OS+ MolecularWeight: 406.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H19N7OS/c1-13-7-8-17-22-15(9-18(28)27(17)10-13)11-29-12-16-24-19(21)26-20(25-16)23-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H3,21,23,24,25,26)/p+1