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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=C(C(=CC=C2)C)N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=C(C(=CC=C2)C)N)N

InChI

InChI=1S/C20H27N5O5/c1-4-6-10-25-17(22)16(18(27)23-20(25)29)24(5-2)14(26)11-30-19(28)13-9-7-8-12(3)15(13)21/h7-9H,4-6,10-11,21-22H2,1-3H3,(H,23,27,29)