ethyl N-methyl-N-[5-oxidanylidene-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]carbamate

Systemtic Name: ethyl N-methyl-N-[5-oxidanylidene-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]carbamate Openeye Name: ethyl N-methyl-N-[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]carbamate CAS Name: N-methyl-N-[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-methyl-N-[5-oxo-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]carbamate Traditional Name: N-[5-keto-7-(2-propoxyphenyl)-8H-pyrimido[4,5-d]pyrimidin-2-yl]-N-methyl-carbamic acid ethyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=CN=C(N=C3N2)N(C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=CN=C(N=C3N2)N(C)C(=O)OCC

InChI

InChI=1S/C19H21N5O4/c1-4-10-28-14-9-7-6-8-12(14)15-21-16-13(17(25)22-15)11-20-18(23-16)24(3)19(26)27-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,20,21,22,23,25)