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

Systemtic Name: (6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethoxy-cyclohexa-2,4-dien-1-one dihydrochloride Openeye Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-cyclohexa-2,4-dien-1-one dihydrochloride CAS Name: (6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-1-cyclohexa-2,4-dienone dihydrochloride IUPAC Name: (6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-ethoxycyclohexa-2,4-dien-1-one dihydrochloride Traditional Name: (6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-ethoxy-cyclohexa-2,4-dien-1-one dihydrochloride Formula: C17H24Cl2N4O2 MolecularWeight: 387.30406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCNC3.Cl.Cl

Isomeric SMILES

CCOC\1=CC=CC(=O)/C1=C/2\C=C(NC(=N2)N)C3CCCNC3.Cl.Cl

InChI

InChI=1S/C17H22N4O2.2ClH/c1-2-23-15-7-3-6-14(22)16(15)13-9-12(20-17(18)21-13)11-5-4-8-19-10-11;;/h3,6-7,9,11,19H,2,4-5,8,10H2,1H3,(H3,18,20,21);2*1H/b16-13-;;