1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine Traditional Name: citric acid; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1C=CC2=CC=CS2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCCN=C1/C=C/C2=CC=CS2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C11H14N2S.C6H8O7/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-6,9H,3,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b6-5+;