methyl 3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]methyl]benzoate

Systemtic Name: methyl 3-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]methyl]benzoate Openeye Name: methyl 3-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]methyl]benzoate CAS Name: 3-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]methyl]benzoate Traditional Name: 3-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]methyl]benzoic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CC(=C1)C(=O)OC)C2=C(N(C(=O)NC2=O)CCCC)N

Isomeric SMILES

CCCCCN(CC1=CC=CC(=C1)C(=O)OC)C2=C(N(C(=O)NC2=O)CCCC)N

InChI

InChI=1S/C22H32N4O4/c1-4-6-8-12-25(15-16-10-9-11-17(14-16)21(28)30-3)18-19(23)26(13-7-5-2)22(29)24-20(18)27/h9-11,14H,4-8,12-13,15,23H2,1-3H3,(H,24,27,29)