(1S,2S)-N-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-5-yl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: (1S,2S)-N-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-5-yl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-N-(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynyl-pyrimidin-5-yl)-2-phenyl-cyclopropanecarboxamide CAS Name: (1S,2S)-N-(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynyl-5-pyrimidinyl)-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-N-(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynylpyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-N-(6-amino-2,4-diketo-1-methyl-3-propargyl-pyrimidin-5-yl)-2-phenyl-cyclopropanecarboxamide Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC#C)NC(=O)C2CC2C3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC#C)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)N

InChI

InChI=1S/C18H18N4O3/c1-3-9-22-17(24)14(15(19)21(2)18(22)25)20-16(23)13-10-12(13)11-7-5-4-6-8-11/h1,4-8,12-13H,9-10,19H2,2H3,(H,20,23)/t12-,13+/m1/s1