6-azanyl-1-cyclopropyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C20H17N7O3S MolecularWeight: 435.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)N

InChI

InChI=1S/C20H17N7O3S/c21-16-15(18(29)25-20(30)26(16)11-6-7-11)14(28)9-31-19-13-8-24-27(17(13)22-10-23-19)12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9,21H2,(H,25,29,30)