2,5-bis(oxidanyl)benzoic acid; (E)-N-methyl-5-pyrimidin-5-yl-pent-4-en-2-amine

Systemtic Name: 2,5-bis(oxidanyl)benzoic acid; (E)-N-methyl-5-pyrimidin-5-yl-pent-4-en-2-amine Openeye Name: 2,5-dihydroxybenzoic acid; (E)-N-methyl-5-pyrimidin-5-yl-pent-4-en-2-amine CAS Name: 2,5-dihydroxybenzoic acid; (E)-N-methyl-5-(5-pyrimidinyl)-4-penten-2-amine IUPAC Name: 2,5-dihydroxybenzoic acid; (E)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine Traditional Name: gentisic acid; methyl-[(E)-1-methyl-4-(5-pyrimidyl)but-3-enyl]amine Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CN=CN=C1)NC.C1=CC(=C(C=C1O)C(=O)O)O

Isomeric SMILES

CC(C/C=C/C1=CN=CN=C1)NC.C1=CC(=C(C=C1O)C(=O)O)O

InChI

InChI=1S/C10H15N3.C7H6O4/c1-9(11-2)4-3-5-10-6-12-8-13-7-10;8-4-1-2-6(9)5(3-4)7(10)11/h3,5-9,11H,4H2,1-2H3;1-3,8-9H,(H,10,11)/b5-3+;