2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C20H14N6OS MolecularWeight: 386.42976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C20H14N6OS/c27-18-10-14(24-17-8-4-5-9-25(17)18)12-28-20-16-11-23-26(19(16)21-13-22-20)15-6-2-1-3-7-15/h1-11,13H,12H2