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

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-oxidanyl-4-prop-2-enyl-cyclohexa-2,4-dien-1-one dihydrochloride Openeye Name: (6E)-4-allyl-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-hydroxy-cyclohexa-2,4-dien-1-one dihydrochloride CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-hydroxy-4-prop-2-enyl-1-cyclohexa-2,4-dienone dihydrochloride IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-hydroxy-4-prop-2-enylcyclohexa-2,4-dien-1-one dihydrochloride Traditional Name: (6E)-4-allyl-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-hydroxy-cyclohexa-2,4-dien-1-one dihydrochloride Formula: C18H24Cl2N4O2 MolecularWeight: 399.31476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=C2C=C(NC(=N2)N)C3CCCNC3)C(=O)C=C1)O.Cl.Cl

Isomeric SMILES

C=CCC1=C(/C(=C\2/C=C(NC(=N2)N)C3CCCNC3)/C(=O)C=C1)O.Cl.Cl

InChI

InChI=1S/C18H22N4O2.2ClH/c1-2-4-11-6-7-15(23)16(17(11)24)14-9-13(21-18(19)22-14)12-5-3-8-20-10-12;;/h2,6-7,9,12,20,24H,1,3-5,8,10H2,(H3,19,21,22);2*1H/b16-14-;;