(4-propan-2-ylphenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: (4-isopropylphenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-4-oxo-butanoate CAS Name: 4-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-4-oxobutanoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate Traditional Name: 4-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-4-keto-butyric acid (4-isopropylbenzyl) ester Formula: C27H40N4O5 MolecularWeight: 500.6303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C27H40N4O5/c1-5-7-9-17-30(24-25(28)31(16-8-6-2)27(35)29-26(24)34)22(32)14-15-23(33)36-18-20-10-12-21(13-11-20)19(3)4/h10-13,19H,5-9,14-18,28H2,1-4H3,(H,29,34,35)