[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic 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] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC=CN2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC=CN2)N

InChI

InChI=1S/C17H23N5O5/c1-3-5-9-22-14(18)13(15(24)20-17(22)26)21(4-2)12(23)10-27-16(25)11-7-6-8-19-11/h6-8,19H,3-5,9-10,18H2,1-2H3,(H,20,24,26)