1,3-dimethyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)-prop-2-ynyl-amino]pyrimidine-5-carbaldehyde

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)-prop-2-ynyl-amino]pyrimidine-5-carbaldehyde Openeye Name: 4-[benzyl(prop-2-ynyl)amino]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbaldehyde CAS Name: 1,3-dimethyl-2,4-dioxo-6-[(phenylmethyl)-prop-2-ynylamino]-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[benzyl(prop-2-ynyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde Traditional Name: 4-[benzyl(propargyl)amino]-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbaldehyde Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C=O)N(CC#C)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C=O)N(CC#C)CC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3/c1-4-10-20(11-13-8-6-5-7-9-13)15-14(12-21)16(22)19(3)17(23)18(15)2/h1,5-9,12H,10-11H2,2-3H3