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

Systemtic Name: methyl 3-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(3-methylbutyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-isopentyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(3-methylbutyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-isoamyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C22H29N5O7/c1-5-6-8-26-18(23)17(19(28)24-22(26)31)25(9-7-13(2)3)20(29)14-10-15(21(30)34-4)12-16(11-14)27(32)33/h10-13H,5-9,23H2,1-4H3,(H,24,28,31)