1-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)urea

Systemtic Name: 1-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)urea Openeye Name: 1-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-oxo-3-thiomorpholino-propyl)urea CAS Name: 1-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-oxo-3-thiomorpholin-4-ylpropyl)urea IUPAC Name: 1-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-oxo-3-thiomorpholin-4-ylpropyl)urea Traditional Name: 1-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-(3-keto-3-thiomorpholino-propyl)urea Formula: C20H23N7O3S MolecularWeight: 441.50672

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)CCNC(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=O)CCNC(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3S/c28-17(26-8-10-31-11-9-26)6-7-21-20(30)22-13-16-24-18-15(19(29)25-16)12-23-27(18)14-4-2-1-3-5-14/h1-5,12,23H,6-11,13H2,(H2,21,22,30)