methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-carbamoyl]benzoate Openeye Name: methyl 4-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-carbamoyl]benzoate CAS Name: 4-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylcarbamoyl]benzoate Traditional Name: 4-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-carbamoyl]benzoic acid methyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5/c1-4-6-8-14-25(20(28)15-9-11-16(12-10-15)21(29)31-3)17-18(23)26(13-7-5-2)22(30)24-19(17)27/h9-12H,4-8,13-14,23H2,1-3H3,(H,24,27,30)