(E)-3-[5-[6-(4-azanylbutylamino)pyrazin-2-yl]pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-[6-(4-azanylbutylamino)pyrazin-2-yl]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-[6-(4-aminobutylamino)pyrazin-2-yl]-3-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[5-[6-(4-aminobutylamino)-2-pyrazinyl]-3-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[5-[6-(4-aminobutylamino)pyrazin-2-yl]pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-[6-(4-aminobutylamino)pyrazin-2-yl]-3-pyridyl]acrylic acid Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1C=CC(=O)O)C2=CN=CC(=N2)NCCCCN

Isomeric SMILES

C1=C(C=NC=C1/C=C/C(=O)O)C2=CN=CC(=N2)NCCCCN

InChI

InChI=1S/C16H19N5O2/c17-5-1-2-6-20-15-11-19-10-14(21-15)13-7-12(8-18-9-13)3-4-16(22)23/h3-4,7-11H,1-2,5-6,17H2,(H,20,21)(H,22,23)/b4-3+