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

Systemtic Name: ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pent-4-enyl]benzoate Openeye Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(C=C)C2=C(NC(=NC2=O)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(C=C)C2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C18H22N4O3/c1-3-12(14-15(19)21-18(20)22-16(14)23)8-5-11-6-9-13(10-7-11)17(24)25-4-2/h3,6-7,9-10,12H,1,4-5,8H2,2H3,(H5,19,20,21,22,23)