7-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H17N6OS+ MolecularWeight: 401.46428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H16N6OS/c1-14-7-8-18-25-15(9-19(28)26(18)11-14)12-29-21-17-10-24-27(20(17)22-13-23-21)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3/p+1