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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C21H28N4O5/c1-4-6-12-24(19(27)14-8-10-15(11-9-14)20(28)30-3)16-17(22)25(13-7-5-2)21(29)23-18(16)26/h8-11H,4-7,12-13,22H2,1-3H3,(H,23,26,29)