N-[(E)-(2-methyl-3-pyridin-4-ylcarbonyl-indolizin-1-yl)methylideneamino]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxamide

Systemtic Name: N-[(E)-(2-methyl-3-pyridin-4-ylcarbonyl-indolizin-1-yl)methylideneamino]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxamide Openeye Name: N-[(E)-[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methyleneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide CAS Name: N-[(E)-[2-methyl-3-[oxo(pyridin-4-yl)methyl]-1-indolizinyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide IUPAC Name: N-[(E)-[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide Traditional Name: N-[(E)-(3-isonicotinoyl-2-methyl-indolizin-1-yl)methyleneamino]-2,4-diketo-1H-pyrimidine-6-carboxamide Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC(=O)NC(=O)N3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=N/NC(=O)C3=CC(=O)NC(=O)N3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H16N6O4/c1-12-14(11-23-26-20(30)15-10-17(28)25-21(31)24-15)16-4-2-3-9-27(16)18(12)19(29)13-5-7-22-8-6-13/h2-11H,1H3,(H,26,30)(H2,24,25,28,31)/b23-11+