ethyl 4-[6-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]hex-1-en-3-yl]benzoate

Systemtic Name: ethyl 4-[6-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]hex-1-en-3-yl]benzoate Openeye Name: ethyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-vinyl-butyl]benzoate CAS Name: 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hex-1-en-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hex-1-en-3-yl]benzoate Traditional Name: 4-[1-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]allyl]benzoic acid ethyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CCCC2=C(NC(=NC2=O)N)N)C=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(CCCC2=C(NC(=NC2=O)N)N)C=C

InChI

InChI=1S/C19H24N4O3/c1-3-12(13-8-10-14(11-9-13)18(25)26-4-2)6-5-7-15-16(20)22-19(21)23-17(15)24/h3,8-12H,1,4-7H2,2H3,(H5,20,21,22,23,24)