5-[(E)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-[4-(coumaran-5-ylmethyl)piperazino]-3-keto-prop-1-enyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)C=CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N4O4/c1-23-15-18(21(28)24(2)22(23)29)4-6-20(27)26-10-8-25(9-11-26)14-16-3-5-19-17(13-16)7-12-30-19/h3-6,13,15H,7-12,14H2,1-2H3/b6-4+