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

Systemtic Name: ethyl 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]benzoate Openeye Name: ethyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoate Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]benzoic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C17H22N4O3/c1-2-24-16(23)12-9-7-11(8-10-12)5-3-4-6-13-14(18)20-17(19)21-15(13)22/h7-10H,2-6H2,1H3,(H5,18,19,20,21,22)