N-(furan-2-ylmethyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxidanylidene-2-phenylazanyl-ethyl)propanamide

Systemtic Name: N-(furan-2-ylmethyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-oxidanylidene-2-phenylazanyl-ethyl)propanamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-N-(2-furylmethyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(2-anilino-2-oxoethyl)-N-(2-furanylmethyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(2-anilino-2-keto-ethyl)-N-(2-furfuryl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O4/c1-26-21-18(12-24-26)22(31)27(15-23-21)10-9-20(30)28(13-17-8-5-11-32-17)14-19(29)25-16-6-3-2-4-7-16/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,25,29)