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

Systemtic Name: [4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]thiophen-3-yl] ethanoate Openeye Name: [4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-3-thienyl] acetate CAS Name: acetic acid [4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-3-thiophenyl] ester IUPAC Name: [4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophen-3-yl] acetate Traditional Name: acetic acid [4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]-3-thienyl] ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CSC=C1CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CC(=O)OC1=CSC=C1CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H18N4O3S/c1-8(19)21-11-7-22-6-9(11)4-2-3-5-10-12(15)17-14(16)18-13(10)20/h6-7H,2-5H2,1H3,(H5,15,16,17,18,20)