(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-cyclopentyloxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-cyclopentyloxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(cyclopentoxy)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-cyclopentyloxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-cyclopentyloxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(cyclopentoxy)cyclohexa-2,4-dien-1-one Formula: C20H26N4O2 MolecularWeight: 354.44604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=O)C2=C3C=C(NC(=N3)N)C4CCCNC4

Isomeric SMILES

C1CCC(C1)OC\2=CC=CC(=O)/C2=C/3\C=C(NC(=N3)N)C4CCCNC4

InChI

InChI=1S/C20H26N4O2/c21-20-23-15(13-5-4-10-22-12-13)11-16(24-20)19-17(25)8-3-9-18(19)26-14-6-1-2-7-14/h3,8-9,11,13-14,22H,1-2,4-7,10,12H2,(H3,21,23,24)/b19-16-