(6Z)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(2-cyclopropylethoxy)cyclohexa-2,4-dien-1-one dihydrochloride

Systemtic Name: (6Z)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(2-cyclopropylethoxy)cyclohexa-2,4-dien-1-one dihydrochloride Openeye Name: (6Z)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(2-cyclopropylethoxy)cyclohexa-2,4-dien-1-one dihydrochloride CAS Name: (6Z)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-(2-cyclopropylethoxy)-1-cyclohexa-2,4-dienone dihydrochloride IUPAC Name: (6Z)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-(2-cyclopropylethoxy)cyclohexa-2,4-dien-1-one dihydrochloride Traditional Name: (6Z)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-(2-cyclopropylethoxy)cyclohexa-2,4-dien-1-one dihydrochloride Formula: C20H28Cl2N4O2 MolecularWeight: 427.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCCC4CC4)N=C(N2)N.Cl.Cl

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C\3/C(=O)C=CC=C3OCCC4CC4)/N=C(N2)N.Cl.Cl

InChI

InChI=1S/C20H26N4O2.2ClH/c21-20-23-15(14-3-2-9-22-12-14)11-16(24-20)19-17(25)4-1-5-18(19)26-10-8-13-6-7-13;;/h1,4-5,11,13-14,22H,2-3,6-10,12H2,(H3,21,23,24);2*1H/b19-16+;;