butanedioic acid; 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

Systemtic Name: butanedioic acid; 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine Openeye Name: 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine; succinic acid CAS Name: butanedioic acid; 1-methyl-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine IUPAC Name: butanedioic acid; 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine Traditional Name: 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine; succinic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC2=NCCCN2C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H16N2S.C4H6O4/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-3(6)1-2-4(7)8/h4-6,9H,3,7-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/b5-4+;