[4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophen-2-yl] ethanoate

Systemtic Name: [4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophen-2-yl] ethanoate Openeye Name: [4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-2-thienyl] acetate CAS Name: acetic acid [4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-2-thiophenyl] ester IUPAC Name: [4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophen-2-yl] acetate Traditional Name: acetic acid [4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]-2-thienyl] ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CS1)CCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CC(=O)OC1=CC(=CS1)CCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C13H16N4O3S/c1-7(18)20-10-5-8(6-21-10)3-2-4-9-11(14)16-13(15)17-12(9)19/h5-6H,2-4H2,1H3,(H5,14,15,16,17,19)