3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]acetyl]anilino)propionamide Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC(=O)N(CCC(=O)N)C2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)CC(=O)N(CCC(=O)N)C2=CC=CC=C2)N

InChI

InChI=1S/C21H30N6O4/c1-3-5-12-27-19(23)18(20(30)24-21(27)31)25(4-2)14-17(29)26(13-11-16(22)28)15-9-7-6-8-10-15/h6-10H,3-5,11-14,23H2,1-2H3,(H2,22,28)(H,24,30,31)