3-[7-(cyclopropylamino)-1-ethyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxy-benzamide

Systemtic Name: 3-[7-(cyclopropylamino)-1-ethyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxy-benzamide Openeye Name: 3-[7-(cyclopropylamino)-1-ethyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxy-benzamide CAS Name: 3-[7-(cyclopropylamino)-1-ethyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxybenzamide IUPAC Name: 3-[7-(cyclopropylamino)-1-ethyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxybenzamide Traditional Name: 3-[7-(cyclopropylamino)-1-ethyl-2-keto-4H-pyrimido[4,5-d]pyrimidin-3-yl]-N-ethoxy-5-methoxy-benzamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=NC=C2CN(C1=O)C3=CC(=CC(=C3)C(=O)NOCC)OC)NC4CC4

Isomeric SMILES

CCN1C2=NC(=NC=C2CN(C1=O)C3=CC(=CC(=C3)C(=O)NOCC)OC)NC4CC4

InChI

InChI=1S/C21H26N6O4/c1-4-26-18-14(11-22-20(24-18)23-15-6-7-15)12-27(21(26)29)16-8-13(9-17(10-16)30-3)19(28)25-31-5-2/h8-11,15H,4-7,12H2,1-3H3,(H,25,28)(H,22,23,24)