[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-amino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-amino]-2-keto-ethyl] ester Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)COC(=O)/C=C/C)N

InChI

InChI=1S/C19H28N4O5/c1-3-5-11-22-17(20)16(18(26)21-19(22)27)23(13-9-6-7-10-13)14(24)12-28-15(25)8-4-2/h4,8,13H,3,5-7,9-12,20H2,1-2H3,(H,21,26,27)/b8-4+