5-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H16ClN5O3 MolecularWeight: 409.82574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CNN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C=C(C1=O)Cl

InChI

InChI=1S/C20H16ClN5O3/c1-2-29-17-9-13(8-16(21)18(17)27)10-23-25-12-22-19-15(20(25)28)11-24-26(19)14-6-4-3-5-7-14/h3-12,23H,2H2,1H3