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

Systemtic Name: methyl 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=CC=CC(=C2)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NC2=CC=CC(=C2)C(=O)OC)N

InChI

InChI=1S/C19H25N5O5/c1-4-5-9-24-16(20)15(17(26)22-19(24)28)23(2)11-14(25)21-13-8-6-7-12(10-13)18(27)29-3/h6-8,10H,4-5,9,11,20H2,1-3H3,(H,21,25)(H,22,26,28)