methyl 4-[5-[2-azanyl-4-(furan-2-yl)pyrimidin-5-yl]-2-oxidanylidene-pyridin-1-yl]butanoate

Systemtic Name: methyl 4-[5-[2-azanyl-4-(furan-2-yl)pyrimidin-5-yl]-2-oxidanylidene-pyridin-1-yl]butanoate Openeye Name: methyl 4-[5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-2-oxo-1-pyridyl]butanoate CAS Name: 4-[5-[2-amino-4-(2-furanyl)-5-pyrimidinyl]-2-oxo-1-pyridinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-2-oxopyridin-1-yl]butanoate Traditional Name: 4-[5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-2-keto-1-pyridyl]butyric acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=C(C=CC1=O)C2=CN=C(N=C2C3=CC=CO3)N

Isomeric SMILES

COC(=O)CCCN1C=C(C=CC1=O)C2=CN=C(N=C2C3=CC=CO3)N

InChI

InChI=1S/C18H18N4O4/c1-25-16(24)5-2-8-22-11-12(6-7-15(22)23)13-10-20-18(19)21-17(13)14-4-3-9-26-14/h3-4,6-7,9-11H,2,5,8H2,1H3,(H2,19,20,21)