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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-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)-cyclopentylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-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(C2CCCC2)C(=O)COC(=O)C3=CC=CN3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)COC(=O)C3=CC=CN3)N

InChI

InChI=1S/C20H27N5O5/c1-2-3-11-24-17(21)16(18(27)23-20(24)29)25(13-7-4-5-8-13)15(26)12-30-19(28)14-9-6-10-22-14/h6,9-10,13,22H,2-5,7-8,11-12,21H2,1H3,(H,23,27,29)