(2E)-6-methyl-5-(2-methylpropyl)-3-phenethyl-2-pyrrol-2-ylidene-1H-pyrimidin-4-one

Systemtic Name: (2E)-6-methyl-5-(2-methylpropyl)-3-phenethyl-2-pyrrol-2-ylidene-1H-pyrimidin-4-one Openeye Name: (2E)-5-isobutyl-6-methyl-3-phenethyl-2-pyrrol-2-ylidene-1H-pyrimidin-4-one CAS Name: (2E)-6-methyl-5-(2-methylpropyl)-3-phenethyl-2-(2-pyrrolylidene)-1H-pyrimidin-4-one IUPAC Name: (2E)-6-methyl-5-(2-methylpropyl)-3-phenethyl-2-pyrrol-2-ylidene-1H-pyrimidin-4-one Traditional Name: (2E)-5-isobutyl-6-methyl-3-phenethyl-2-pyrrol-2-ylidene-1H-pyrimidin-4-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C2C=CC=N2)N1)CCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(/C(=C/2\C=CC=N2)/N1)CCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C21H25N3O/c1-15(2)14-18-16(3)23-20(19-10-7-12-22-19)24(21(18)25)13-11-17-8-5-4-6-9-17/h4-10,12,15,23H,11,13-14H2,1-3H3/b20-19+