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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-amino]-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic 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)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-amino]-2-keto-ethyl] ester Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5/c1-3-5-11-16(26)29-13-15(25)24(14-9-7-8-10-14)17-18(21)23(12-6-4-2)20(28)22-19(17)27/h5,11,14H,3-4,6-10,12-13,21H2,1-2H3,(H,22,27,28)/b11-5+