methyl 4-[[4-azanyl-3-butyl-5-morpholin-4-yl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-azanyl-3-butyl-5-morpholin-4-yl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-amino-3-butyl-5-morpholino-2,6-dioxo-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[4-amino-3-butyl-5-(4-morpholinyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[(4-amino-3-butyl-2,6-diketo-5-morpholino-pyrimidin-1-yl)methyl]benzoic acid methyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)OC)N3CCOCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)OC)N3CCOCC3)N

InChI

InChI=1S/C21H28N4O5/c1-3-4-9-24-18(22)17(23-10-12-30-13-11-23)19(26)25(21(24)28)14-15-5-7-16(8-6-15)20(27)29-2/h5-8H,3-4,9-14,22H2,1-2H3