ethyl 7-[[4-[3-(dimethylamino)phenoxy]pyrimidin-5-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-[[4-[3-(dimethylamino)phenoxy]pyrimidin-5-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-[[4-[3-(dimethylamino)phenoxy]pyrimidin-5-yl]amino]-7-oxo-heptanoate CAS Name: 7-[[4-[3-(dimethylamino)phenoxy]-5-pyrimidinyl]amino]-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-[3-(dimethylamino)phenoxy]pyrimidin-5-yl]amino]-7-oxoheptanoate Traditional Name: 7-[[4-[3-(dimethylamino)phenoxy]pyrimidin-5-yl]amino]-7-keto-enanthic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(=O)NC1=CN=CN=C1OC2=CC=CC(=C2)N(C)C

Isomeric SMILES

CCOC(=O)CCCCCC(=O)NC1=CN=CN=C1OC2=CC=CC(=C2)N(C)C

InChI

InChI=1S/C21H28N4O4/c1-4-28-20(27)12-7-5-6-11-19(26)24-18-14-22-15-23-21(18)29-17-10-8-9-16(13-17)25(2)3/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,26)