ethyl 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(cyclopropylamino)-4-pyrimido[5,4-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(cyclopropylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)NC4CC4

InChI

InChI=1S/C18H18N6O2/c1-2-26-17(25)11-4-3-5-13(8-11)22-16-15-14(20-10-21-16)9-19-18(24-15)23-12-6-7-12/h3-5,8-10,12H,2,6-7H2,1H3,(H,19,23,24)(H,20,21,22)