2-[3-[(4E)-2-azanyl-4-(3-ethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4E)-2-azanyl-4-(3-ethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4E)-2-amino-4-(3-ethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]-1-piperidyl]acetic acid CAS Name: 2-[3-[(4E)-2-amino-4-(3-ethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-6-yl]-1-piperidinyl]acetic acid IUPAC Name: 2-[3-[(4E)-2-amino-4-(3-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[3-[(4E)-2-amino-4-(3-ethyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-6-yl]piperidino]acetic acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=C(NC(=N2)N)C3CCCN(C3)CC(=O)O)C(=O)C=C1

Isomeric SMILES

CCC1=C/C(=C\2/C=C(NC(=N2)N)C3CCCN(C3)CC(=O)O)/C(=O)C=C1

InChI

InChI=1S/C19H24N4O3/c1-2-12-5-6-17(24)14(8-12)16-9-15(21-19(20)22-16)13-4-3-7-23(10-13)11-18(25)26/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H,25,26)(H3,20,21,22)/b16-14+