(E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-bromophenyl)-N-butyl-prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-bromophenyl)-N-butyl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(3-bromophenyl)-N-butyl-prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-bromophenyl)-N-butyl-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-bromophenyl)-N-butylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(3-bromophenyl)-N-butyl-acrylamide Formula: C21H27BrN4O3 MolecularWeight: 463.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C=CC2=CC(=CC=C2)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)/C=C/C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C21H27BrN4O3/c1-3-5-12-25(17(27)11-10-15-8-7-9-16(22)14-15)18-19(23)26(13-6-4-2)21(29)24-20(18)28/h7-11,14H,3-6,12-13,23H2,1-2H3,(H,24,28,29)/b11-10+